SCHEMBL925698

SCHEMBL925698

O=C(O)Cc1ccc(C2CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.54
CAMK2A Q9UQM7 1/20 0.54
AKR1B1 P15121 1/20 0.52
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
TSHR P16473 2/20 0.50
ABCC4 O15439 1/20 0.50
PTGS1 P23219 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
FFAR1 O14842 1/20 0.46
POLB P06746 3/20 0.44
NSD2 O96028 1/20 0.44
GRK2 P25098 1/20 0.44
CASP6 P55212 1/20 0.44
CTDSP1 Q9GZU7 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
SCHEMBL26089356 0.92 CA2 (0.50) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL11674678 0.90 HAO1 (0.53) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL2649112 0.90 HAO1 (0.53) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL14379155 0.89 DGAT1 (0.51) DGAT1
SCHEMBL15054359 0.87 SLC18A3 (0.53) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL13008860 0.87 CYP19A1 (0.45) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL3289619 0.86 HTT (0.55) CA2CAMK2ALMNAGAATSHR
SCHEMBL9338791 0.85 CYP2C9 (0.62) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL18857845 0.84 LSS (0.52) CA2CAMK2ALMNARAB9AALDH1A1
SCHEMBL12463311 0.84 ESR2 (0.43) CA2CAMK2AAKR1B1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114790136-A Preparation method and application of active trivalent organic chromium compound 中国石油天然气股份有限公司 2022-07-26 CN claimed
US-12534451-B2 Small molecule modulators of PanK ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2026-01-27 US disclosed
CN-111848598-B Heterocyclic compound, application thereof and composition containing same 健艾仕生物医药有限公司 2024-12-10 CN disclosed
US-20240190865-A1 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-06-13 US disclosed
WO-2024081653-A2 METHODS OF LOWERING MIRO2 TO TREAT NEURODEGENERATIVE DISEASES ACUREX BIOSCIENCES CORPORATION (US) 2024-04-18 WO disclosed
US-20240115566-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST JUDE CHILDRENS RES HOSPITAL INC (US) 2024-04-11 US disclosed
EP-4301759-A2 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF The Board of Trustees of the Leland Stanford Junior University (US) 2024-01-10 EP disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
EP-4262814-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR St. Jude Children's Research Hospital, Inc. (US) 2023-10-25 EP disclosed
US-20110015204-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2011-01-20 US disclosed
CN-101801955-A Pyrimidyl cyclopentanes as akt protein kinase inhibitors ARRAY BIOPHARMA INC 2010-08-11 CN disclosed
EP-2170863-A2 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-04-07 EP disclosed
US-20090275550-A1 Pyridyl Amide T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2009-11-05 US disclosed
CN-101466676-A Pyridyl amide T-type calcium channel antagonists MERCK & CO INC (US) 2009-06-24 CN disclosed
WO-2009006567-A2 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-01-08 WO disclosed
EP-2010493-A2 PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2009-01-07 EP disclosed
WO-2008101938-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-28 WO disclosed
WO-2007120729-A2 PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2007-10-25 WO disclosed
EP-0109934-A1 Alpha-cyclopropyl-alpha-phenyl acetates and their salts, processes for their preparation and their use as pesticides CIBA-GEIGY AG (CH) 1984-05-30 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 (6 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-20240190865-A1 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF CACNA1G, CACNA1H, CACNB2 CA2 96/4885CAMK2A 36/4885AKR1B1 4804/4885
US-12534451-B2 Small molecule modulators of PanK PANK2, PANK1, PANK3 CA2 2268/4885CAMK2A 469/4885AKR1B1 707/4885
US-20090275550-A1 Pyridyl Amide T-Type Calcium Channel Antagonists CACNA1G, CACNA1H, CACNA1I CA2 100/4885CAMK2A 82/4885AKR1B1 2863/4885
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 CA2 798/4885CAMK2A 705/4885AKR1B1 893/4885
US-20110015204-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 CA2 3176/4885CAMK2A 1251/4885AKR1B1 604/4885
US-20240115566-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, ACADM CA2 736/4885CAMK2A 1181/4885AKR1B1 94/4885

“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.