SCHEMBL4968244

SCHEMBL4968244

CC(C)C1Oc2ccccc2NC1=O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.62
BRD4 O60885 2/20 0.50
CREBBP Q92793 2/20 0.49
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
BRPF1 P55201 1/20 0.41
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10358538 0.84 PARP1 (0.55) PARP1BRD4CREBBPTP53MAPT
SCHEMBL18322435 0.80 PARP1 (0.42) PARP1BRD4ALDH1A1HPGDHSD17B10
SCHEMBL7982133 0.79 PARP1 (0.45) PARP1BRD4CREBBPTP53MAPT
SCHEMBL4969089 0.79 BRD4 (0.52) BRD4CREBBPTSHRALDH1A1HSD17B10
SCHEMBL3293755 0.79 BRD4 (0.60) PARP1BRD4CREBBPTSHRALDH1A1
SCHEMBL7472419 0.78 PARP1 (0.49) PARP1BRD4CREBBPTP53MAPT
SCHEMBL24508622 0.78 BRD4 (0.55) PARP1BRD4CREBBPTP53MAPT
SCHEMBL4969061 0.78 BRD4 (0.55) PARP1BRD4CREBBPALDH1A1HPGD
SCHEMBL10358498 0.78 BRD4 (0.55) PARP1BRD4CREBBPALDH1A1HPGD
SCHEMBL10358558 0.78 BRD4 (0.46) PARP1BRD4CREBBPALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US disclosed
EP-0980362-B1 SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS SCHERING AG (DE) 2006-08-16 EP disclosed
US-6191127-B1 ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0980362-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-23 EP disclosed
WO-1998050372-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-11-12 WO disclosed
EP-0243018-B1 THIOLACTAM-N-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-10-24 EP disclosed
US-4771050-A ALDOSE REDUCTASE INHIBITOR, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-13 US disclosed
EP-0243018-A1 Thiolactam-N-acetic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-10-28 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 (1 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 PARP1 4774/4885BRD4 3303/4885CREBBP 2067/4885

“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.