SCHEMBL590476

SCHEMBL590476

Oc1c(F)ccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.60
ALDH1A1 P00352 1/20 0.50
CYP2A6 P11509 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LDHA P00338 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPRT1 P00492 2/20 0.48
CYP1A2 P05177 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46

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
SCHEMBL25229884 0.80 HSD17B14 (0.43) PTPN22ALDH1A1CYP2A6HSD17B10MEN1
SCHEMBL3836747 0.80 ALDH1A1 (0.55) PTPN22ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL30366237 0.80 ALDH1A1 (0.55) PTPN22ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL29930545 0.80 ALDH1A1 (0.55) PTPN22ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL24825177 0.78 GRM2 (0.50) PTPN22CYP2A6LDHAMEN1NPC1
SCHEMBL374807 0.75 PTPN22 (0.65) PTPN22ALDH1A1CYP2A6TSHRHSD17B10
Hydrochloric Acid SCHEMBL28347175 0.75 PTPN22 (1.00) PTPN22ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL29613822 0.75 PTPN22 (1.00) PTPN22ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL29401627 0.75 PTPN22 (0.65) PTPN22ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL28483 0.75 PTPN22 (1.00) PTPN22ALDH1A1CYP2A6TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12163968-B2 Preparation of nucleated RBC (NRBC) analogs for use as reference hematology controls in automated hematology analyzers BIO-RAD LABORATORIES, INC. (US) 2024-12-10 US claimed
CN-103980982-B A kind of transformer oil high-performance composite additive and preparation method thereof THERMAL POWER RESEARCH INSTITUTE (CN) 2016-01-13 CN claimed
CN-103980982-A High-performance composite additive for insulating oil and preparation method thereof XI AN THERMAL POWER RES INST 2014-08-13 CN claimed
CN-118059081-B Use of 2-fluorinated naphthol compounds 东北农业大学 2025-05-23 CN disclosed
CN-115842112-B Secondary battery, battery module, battery pack and power utilization device thereof 宁德时代新能源科技股份有限公司 2025-01-03 CN disclosed
US-12163968-B2 Preparation of nucleated RBC (NRBC) analogs for use as reference hematology controls in automated hematology analyzers BIO-RAD LABORATORIES, INC. (US) 2024-12-10 US disclosed
US-20240239761-A1 BICYCLIC PHENOL COMPOUNDS AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2024-07-18 US disclosed
US-20240239761-A1 BICYCLIC PHENOL COMPOUNDS AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2024-07-18 US disclosed
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors MIRATI THERAPEUTICS INC (US) 2024-06-27 US disclosed
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors MIRATI THERAPEUTICS INC (US) 2024-06-27 US disclosed
CN-118059081-A Use of 2-fluorinated naphthol compounds 东北农业大学 2024-05-24 CN disclosed
WO-2006105193-A2 PERSONAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105261-A1 CLEANSING COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006061376-A1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL D0PAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2006-06-15 WO disclosed
WO-2006061377-A1 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2006-06-15 WO disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 US disclosed
US-20060122247-A1 Aryloxyethylamine and phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 US disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
US-4479901-A Fluorination of carbanions with N-fluoro-N-alkylsulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-30 US 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 (4 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-20060122247-A1 Aryloxyethylamine and phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition HTR2A, HTR2C, HTR1A PTPN22 990/4885ALDH1A1 1222/4885CYP2A6 658/4885
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition HTR2C, HTR2A, HTR5A PTPN22 769/4885ALDH1A1 1420/4885CYP2A6 688/4885
US-20240239761-A1 BICYCLIC PHENOL COMPOUNDS AND USE THEREOF CYP3A43, CYP11B2, UGT2B7 PTPN22 1959/4885ALDH1A1 608/4885CYP2A6 63/4885
US-20240208912-A1 MTA-Cooperative PRMT5 Inhibitors PRMT1, PRMT5, PRMT6 PTPN22 3849/4885ALDH1A1 3367/4885CYP2A6 4345/4885

“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.