SCHEMBL765995

SCHEMBL765995

O=C(O)/C=C/c1ccc2ccccc2c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 5/20 0.54
CYP1A1 P04798 4/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
NFKB1 P19838 1/20 0.53
CA4 P22748 1/20 0.53
ABCG2 Q9UNQ0 2/20 0.53
LDHA P00338 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MAOB P27338 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.46
TBXA2R P21731 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGFR P43088 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
PTGDR Q13258 1/20 0.46
HDAC3 O15379 1/20 0.46
TNKS O95271 1/20 0.46

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
SCHEMBL765996 1.00 CYP1B1 (0.54) CYP1B1CYP1A1CA1CA2NFKB1
SCHEMBL12486294 0.87 CYP1B1 (0.51) CYP1B1CYP1A1ABCG2LDHAMAOB
SCHEMBL21060616 0.87 CYP1B1 (0.51) CYP1B1CYP1A1ABCG2LDHAMAOB
SCHEMBL15477236 0.87 CYP1B1 (0.51) CYP1B1CYP1A1ABCG2LDHAMAOB
SCHEMBL8746644 0.83 KDM4E (0.50) CYP1B1CYP1A1CA1CA2NFKB1
SCHEMBL7396139 0.81 MAOB (0.65) CYP1B1CYP1A1CA1CA2NFKB1
SCHEMBL7396138 0.81 MAOB (0.65) CYP1B1CYP1A1CA1CA2NFKB1
SCHEMBL2903467 0.80 HDAC8 (0.67) CYP1B1CYP1A1CA1CA2NFKB1
SCHEMBL600540 0.80 HDAC8 (0.67) CYP1B1CYP1A1CA1CA2NFKB1
SCHEMBL29470165 0.80 HDAC8 (0.67) CYP1B1CYP1A1CA1CA2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201071-B1 2-SUBSTITUTED-1-NAPHTHOLS AS 5-LIPOXYGENASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-03-04 EP claimed
US-8697332-B2 Base generator, photosensitive resin composition, pattern forming material comprising the photosensitive resin composition, pattern forming method using the photosensitive resin composition and products comprising the same DAI NIPPON PRINTING CO., LTD. (JP) 2014-04-15 US disclosed
US-20120070781-A1 BASE GENERATOR, PHOTOSENSITIVE RESIN COMPOSITION, PATTERN FORMING MATERIAL COMPRISING THE PHOTOSENSITIVE RESIN COMPOSITION, PATTERN FORMING METHOD USING THE PHOTOSENSITIVE RESIN COMPOSITION AND PRODUCTS COMPRISING THE SAME DAI NIPPON PRINTING CO., LTD. (JP) 2012-03-22 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 (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-20120070781-A1 BASE GENERATOR, PHOTOSENSITIVE RESIN COMPOSITION, PATTERN FORMING MATERIAL COMPRISING THE PHOTOSENSITIVE RESIN COMPOSITION, PATTERN FORMING METHOD USING THE PHOTOSENSITIVE RESIN COMPOSITION AND PRODUCTS COMPRISING THE SAME RER1, SUN2, REV1 CYP1B1 1256/4885CYP1A1 2684/4885CA1 1399/4885

“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.