SCHEMBL16199995

SCHEMBL16199995

CC/C=C/c1cc(O)c(CC=C(C)C)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 7/20 0.54
▸ CYP19A1 P11511 5/20 0.54
▸ PTGS2 P35354 4/20 0.54
▸ MAOA P21397 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ ABCB1 P08183 3/20 0.48
▸ PTGES O14684 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ PPARG P37231 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ TTR P02766 1/20 0.45
▸ OSBP P22059 3/20 0.44
▸ SMPD1 P17405 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL16199927 0.84 ABCB1 (0.61) ALOX5CYP19A1PTGS2MAOAMAOB
SCHEMBL16200113 0.83 ALOX5 (0.52) ALOX5CYP19A1PTGS2MAOAMAOB
SCHEMBL6230114 0.82 PPARG (0.61) ALOX5CYP19A1PTGS2MAOAMAOB
SCHEMBL6230110 0.82 PPARG (0.61) ALOX5CYP19A1PTGS2MAOAMAOB
SCHEMBL16200005 0.82 MAOB (0.76) ALOX5CYP19A1PTGS2MAOAMAOB
SCHEMBL4259703 0.81 MAOA (0.61) ALOX5CYP19A1PTGS2MAOAMAOB
SCHEMBL4259700 0.81 MAOA (0.61) ALOX5CYP19A1PTGS2MAOAMAOB
SCHEMBL16199920 0.81 CYP19A1 (0.72) ALOX5CYP19A1PTGS2MAOAMAOB
SCHEMBL16200144 0.81 MAOA (0.62) ALOX5CYP19A1PTGS2MAOAMAOB
SCHEMBL16307439 0.80 PPARG (0.52) ALOX5CYP19A1PTGS2MAOAMAOB

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 6 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
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

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 ALOX5 2183/4885CYP19A1 1479/4885PTGS2 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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