SCHEMBL4477977

SCHEMBL4477977

COc1cccc(-c2ccccc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.50
PDCD1 Q15116 4/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 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
SCHEMBL7921177 0.84 CA1 (0.52) CD274PDCD1CA12CA1CA2
SCHEMBL24747126 0.83 SQOR (0.44) CD274PDCD1CA12CA1CA2
SCHEMBL30136447 0.82 ALDH1A1 (0.58) CA12CA1CA2CA4CA7
SCHEMBL294721 0.82 ALDH1A1 (0.58) CA12CA1CA2CA4CA7
SCHEMBL4200639 0.81 CYP1A1 (0.56) CD274PDCD1ALDH1A1LMNAMEN1
SCHEMBL26199792 0.81 ALDH1A1 (0.50) CA12CA1CA2CA4CA7
SCHEMBL13684920 0.81 KDM4E (0.50) CA12CA1CA2CA4CA7
SCHEMBL31156163 0.81 CA1 (0.49) CD274PDCD1CA12CA1CA2
SCHEMBL30017788 0.80 ALDH1A1 (0.56) CA12CA1CA2CA4CA7
Biphenyl SCHEMBL9989359 0.80 ALDH1A1 (0.56) CA12CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0063374-B1 SUBSTITUTED BIPHENYL COMPOUNDS FMC Corporation (US) 1984-02-22 EP claimed
CN-103492449-B Epoxy resin and preparation method thereof and composition epoxy resin KUKDO CHEMICAL Co.,Ltd. (KR) 2016-01-13 CN disclosed
CN-101679389-B Co-crystals of propiconazole SYNGENTA LTD 2012-11-07 CN disclosed
CN-101679389-A co-crystals of propiconazole SYNGENTA LTD 2010-03-24 CN disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
US-6924301-B1 Composition for treating or preventing arrhythmia SHIONOGI & CO., LTD. (JP) 2005-08-02 US disclosed
EP-0976748-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-12-03 EP disclosed
EP-1240906-A1 PREVENTIVES OR REMEDIES FOR ARRHYTHMIA SHIONOGI & CO., LTD. (JP) 2002-09-18 EP disclosed
US-6147100-A ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
EP-0976748-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2000-02-02 EP disclosed
CN-1037721-A Compositions of thermosetting resin MITSUI TOATSU CHEMICALS (JP) 1989-12-06 CN 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 (2 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 CD274 1854/4885PDCD1 2295/4885CA12 4859/4885
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT CD274 4688/4885PDCD1 4814/4885CA12 2423/4885

“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.