SCHEMBL377726

SCHEMBL377726

[O]CCn1cc2ccccc2c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.33
CCND1 P24385 4/20 0.33
CYP2A6 P11509 1/20 0.33
ALOX12 P18054 1/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.31
BRD4 O60885 1/20 0.31
BRPF1 P55201 1/20 0.31
CA9 Q16790 1/20 0.31
KAT2B Q92831 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL3632871 0.75 BCHE (0.34) CDK4CCND1CYP2A6ALOX12ALDH1A1
SCHEMBL7004471 0.75 HTR2A (0.38) CDK4CCND1CYP2A6ALOX12ALDH1A1
SCHEMBL7634312 0.73 KMO (0.50) ALDH1A1
SCHEMBL5729887 0.72 ALDH1A1 (0.44) HPGDALDH1A1MAPK1
SCHEMBL28782010 0.72 HTT (0.39) ALDH1A1CA12BRD4BRPF1CA9
SCHEMBL11801475 0.71 HEXA (0.42)
SCHEMBL7365093 0.70 FABP4 (0.51) ALDH1A1KAT2BMAPK1
SCHEMBL608395 0.70 LMNA (0.49) HPGDALDH1A1MAPK1
SCHEMBL30179235 0.70 CDK4 (0.36) CDK4CCND1
SCHEMBL7633464 0.69 FABP4 (0.53) MAPK1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US claimed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US claimed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US claimed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 EP claimed
WO-2010106436-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-09-23 WO claimed
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 US disclosed
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US disclosed
WO-2013175281-A1 USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BROMODOMAIN AND EXTRA TERMINAL DOMAIN (BET) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-11-28 WO disclosed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US disclosed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 EP disclosed
WO-2010106436-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-09-23 WO 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 (7 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-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CDK4 1272/4885CCND1 2629/4885CYP2A6 434/4885
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 CDK4 972/4885CCND1 2935/4885CYP2A6 4600/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CDK4 1145/4885CCND1 2316/4885CYP2A6 480/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CDK4 1145/4885CCND1 2316/4885CYP2A6 480/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CDK4 1145/4885CCND1 2316/4885CYP2A6 480/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CDK4 1272/4885CCND1 2629/4885CYP2A6 434/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CDK4 1272/4885CCND1 2629/4885CYP2A6 434/4885

“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.