SCHEMBL16200005

SCHEMBL16200005

COc1cc(/C=C/c2ccc(O)cc2)cc(O)c1CC=C(C)C

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.76
MAOA P21397 1/20 0.76
CYP19A1 P11511 6/20 0.64
ALOX5 P09917 4/20 0.64
PTGS2 P35354 4/20 0.64
PPARG P37231 4/20 0.61
PPARA Q07869 4/20 0.61
PDPK1 O15530 1/20 0.61
TTR P02766 1/20 0.61
MAPT P10636 3/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
APP P05067 2/20 0.52
PTGS1 P23219 1/20 0.50
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
ABCB1 P08183 1/20 0.49

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
SCHEMBL16200144 0.91 MAOA (0.62) MAOBMAOACYP19A1ALOX5PTGS2
SCHEMBL16199920 0.91 CYP19A1 (0.72) MAOBMAOACYP19A1ALOX5PTGS2
SCHEMBL16199945 0.90 PPARG (0.62) MAOBMAOACYP19A1ALOX5PTGS2
SCHEMBL6230110 0.89 PPARG (0.61) MAOBMAOACYP19A1ALOX5PTGS2
SCHEMBL6230114 0.89 PPARG (0.61) MAOBMAOACYP19A1ALOX5PTGS2
Arachidin-2 SCHEMBL31544968 0.87 MAOA (1.00) MAOBMAOACYP19A1ALOX5PTGS2
Arachidin-2 SCHEMBL6232566 0.87 MAOA (1.00) MAOBMAOACYP19A1ALOX5PTGS2
Arachidin-2 SCHEMBL4742876 0.87 MAOA (1.00) MAOBMAOACYP19A1ALOX5PTGS2
SCHEMBL16199967 0.87 CYP19A1 (0.57) MAOBMAOACYP19A1ALOX5PTGS2
SCHEMBL16199927 0.86 ABCB1 (0.61) MAOBMAOACYP19A1ALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAOB 3060/4885MAOA 2467/4885CYP19A1 1479/4885

“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.