SCHEMBL331513

SCHEMBL331513

Oc1ccc(Cl)cc1C=Cc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.63
ABCB1 P08183 1/20 0.63
BCR P11274 1/20 0.63
ERN1 O75460 1/20 0.57
AHR P35869 1/20 0.52
ALOX5 P09917 1/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
HSP90AA1 P07900 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOB P27338 2/20 0.49
NFE2L2 Q16236 1/20 0.47
AR P10275 1/20 0.46
GUSB P08236 1/20 0.46
LCK P06239 2/20 0.45

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
SCHEMBL331511 1.00 ABL1 (0.63) ABL1ABCB1BCRERN1AHR
SCHEMBL3284014 0.89 TRPA1 (0.60) ABL1ABCB1BCRERN1MEN1
SCHEMBL3284015 0.89 TRPA1 (0.60) ABL1ABCB1BCRERN1MEN1
SCHEMBL28472054 0.85 ALOX5 (0.54) ABL1ABCB1BCRAHRALOX5
SCHEMBL27817127 0.85 KMT2A (0.57) ABL1ABCB1BCRERN1ALOX5
SCHEMBL28472052 0.85 ALOX5 (0.54) ABL1ABCB1BCRAHRALOX5
SCHEMBL904018 0.82 ERN1 (0.59) ABL1ABCB1BCRERN1MEN1
SCHEMBL5326582 0.80 TRPA1 (0.70) ABL1ABCB1BCRAHRALOX5
SCHEMBL5326579 0.80 TRPA1 (0.70) ABL1ABCB1BCRAHRALOX5
SCHEMBL21428820 0.79 ERN1 (0.67) ERN1AHRALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848560-A Preparation method of benzofuran derivative 中国科学院成都生物研究所 2020-10-30 CN disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 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 (5 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ABL1 1136/4885ABCB1 1448/4885BCR 2448/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ABL1 1309/4885ABCB1 1499/4885BCR 2480/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ABL1 1309/4885ABCB1 1499/4885BCR 2480/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ABL1 1309/4885ABCB1 1499/4885BCR 2480/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB ABL1 1047/4885ABCB1 1317/4885BCR 2145/4885

“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.