SCHEMBL16191732

SCHEMBL16191732

COc1cc(/C=C(\C)c2cc(O)cc(O)c2)cc(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 13/20 0.70
▸ NQO2 P16083 8/20 0.70
▸ PTGS2 P35354 8/20 0.70
▸ TUBB1 Q9H4B7 1/20 0.47
▸ CYP1A1 P04798 3/20 0.47
▸ CYP1B1 Q16678 3/20 0.47
▸ TTR P02766 2/20 0.47
▸ ALOX5 P09917 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ BCR P11274 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL16191734 1.00 PTGS1 (0.70) PTGS1NQO2PTGS2TUBB1CYP1A1
SCHEMBL16307444 0.88 PTGS1 (0.59) PTGS1NQO2PTGS2TUBB1CYP1A1
SCHEMBL16192285 0.87 PTGS1 (0.73) PTGS1NQO2PTGS2ALOX5
SCHEMBL16192287 0.87 PTGS1 (0.73) PTGS1NQO2PTGS2ALOX5
SCHEMBL3808056 0.79 NQO2 (0.77) PTGS1NQO2PTGS2TUBB1CYP1A1
SCHEMBL3808057 0.79 NQO2 (0.77) PTGS1NQO2PTGS2TUBB1CYP1A1
SCHEMBL16191961 0.78 NQO2 (0.61) PTGS1NQO2PTGS2TUBB1CYP1A1
SCHEMBL16191959 0.78 NQO2 (0.61) PTGS1NQO2PTGS2TUBB1CYP1A1
SCHEMBL10207842 0.74 NQO2 (0.60) PTGS1NQO2PTGS2TUBB1CYP1A1
SCHEMBL3811776 0.72 PTGS1 (0.75) PTGS1NQO2PTGS2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2796442-B1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE INST MED BIOTECHNOLOGY CAMS (CN) 2019-03-27 — — EP disclosed
EP-2796442-B1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE INST MED BIOTECHNOLOGY CAMS (CN) 2019-03-27 — — EP disclosed
US-9359298-B2 Cajanine structure analogous compound, preparation method and use INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2016-06-07 — — US disclosed
US-9359298-B2 Cajanine structure analogous compound, preparation method and use INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2016-06-07 — — US disclosed
US-20140371232-A1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-12-18 — — US disclosed
US-20140371232-A1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-12-18 — — US disclosed
EP-2796442-A1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2014-10-29 — — EP disclosed
EP-2796442-A1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2014-10-29 — — 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-20140371232-A1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE ACHE, GAP43, LNPK PTGS1 2474/4885NQO2 4644/4885PTGS2 3230/4885

“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.

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