SCHEMBL805120

SCHEMBL805120

CCc1ccc(OC(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
GAA P10253 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALDH1A3 P47895 1/20 0.48
RAB9A P51151 2/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
PARP10 Q53GL7 1/20 0.45
KDM4E B2RXH2 1/20 0.44
P2RX3 P56373 1/20 0.44
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12603806 0.94 POLB (0.52) POLBCYP1A2CYP2C19GAACYP2D6
SCHEMBL5300988 0.86 PPARG (0.47) POLBCYP1A2CYP2C19GAACYP2D6
SCHEMBL14449300 0.83 POLB (0.59) POLBCYP1A2CYP2C19GAACYP2D6
SCHEMBL17790001 0.83 PPARG (0.42) POLBCYP1A2CYP2C19GAACYP2D6
SCHEMBL23067917 0.82 PPARG (0.45) POLBCYP1A2CYP2C19GAACYP2D6
SCHEMBL8361506 0.82 PPARG (0.49) POLBCYP1A2CYP2C19GAACYP2D6
SCHEMBL8889115 0.82 PPARG (0.45) POLBCYP1A2CYP2C19GAACYP2D6
SCHEMBL9869550 0.82 PPARG (0.45) POLBCYP1A2CYP2C19GAACYP2D6
SCHEMBL7903010 0.82 POLB (0.53) POLBCYP1A2CYP2C19GAACYP2D6
SCHEMBL24455139 0.82 PPARG (0.45) POLBCYP1A2CYP2C19GAACYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024010810-A2 FC CONJUGATES INCLUDING AN INHIBITOR OF CD73 AND USES THEREOF CIDARA THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 US disclosed
US-11760775-B2 Steroids and protein-conjugates thereof REGENERON PHARMACEUTICALS, INC. 2023-09-19 US disclosed
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-20230159537-A1 COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG TIANJIN JIKUN MEDICAL TECHNOLOGY CO., LTD. (CN) 2023-05-25 US disclosed
US-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF KANSAS 2021-10-21 US disclosed
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2021-04-29 US disclosed
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 EP disclosed
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-01 US disclosed
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-05 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 US disclosed
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-15 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 US disclosed
US-5242919-A Antiinflammatory agents or hypotensive agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-07 US disclosed
US-5055474-A Antihypoxia, hypotensive, antiinflammatory agents; anoxia treatment OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0173331-B1 2,3-DIHYDRO-1H-INDENE DERIVATIVES, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4895847-A ANTIHYPOXIC, ANTIINFLAMMATORY, HYPOTENSIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-01-23 US disclosed
US-4788130-A ANTIHYDOXIC, HYPOTENSIVE, ANTIINFLAMMATORY AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-11-29 US disclosed
EP-0173331-A2 2,3-Dihydro-1H-indene derivatives, a process for preparing them and pharmaceutical compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 POLB 3893/4885CYP1A2 3367/4885CYP2C19 4446/4885
US-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, CHRM2 POLB 3764/4885CYP1A2 2305/4885CYP2C19 1358/4885
US-20230159537-A1 COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG FGFR1, FGFR3, FGFR4 POLB 2776/4885CYP1A2 3866/4885CYP2C19 1249/4885
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 POLB 3628/4885CYP1A2 1013/4885CYP2C19 840/4885
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells CCR3, CCR1, CCR4 POLB 3519/4885CYP1A2 1429/4885CYP2C19 664/4885
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, DRD2 POLB 3562/4885CYP1A2 2247/4885CYP2C19 1410/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP POLB 733/4885CYP1A2 2459/4885CYP2C19 1394/4885
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, VHL, CYP11B2 POLB 1110/4885CYP1A2 355/4885CYP2C19 394/4885
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 POLB 4234/4885CYP1A2 3773/4885CYP2C19 3069/4885
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 POLB 4234/4885CYP1A2 3773/4885CYP2C19 3069/4885
US-11760775-B2 Steroids and protein-conjugates thereof SERPINA6, NR3C1, NR3C2 POLB 4154/4885CYP1A2 4423/4885CYP2C19 4575/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.