SCHEMBL16192000

SCHEMBL16192000

COc1cc(/C=C/Cc2ccccc2)cc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.53
CYP1B1 Q16678 2/20 0.53
NQO2 P16083 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ESR1 P03372 4/20 0.50
ABL1 P00519 3/20 0.50
BCR P11274 3/20 0.50
ABCB1 P08183 2/20 0.50
AHR P35869 2/20 0.50

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
SCHEMBL16192001 1.00 CYP1A1 (0.53) CYP1A1CYP1B1NQO2KDM4EMEN1
SCHEMBL16307443 0.88 KDM4E (0.48) CYP1A1CYP1B1NQO2KDM4EMEN1
SCHEMBL22525859 0.88 CYP1A1 (0.61) CYP1A1CYP1B1NQO2KDM4EMEN1
SCHEMBL28140894 0.87 RELA (0.56) NQO2CYP19A1TUBB4ATUBBTUBA3C
SCHEMBL9954124 0.84 TRPA1 (0.63) KDM4EMEN1ALDH1A1TP53CYP3A4
SCHEMBL3848013 0.84 TRPA1 (0.63) KDM4EMEN1ALDH1A1TP53CYP3A4
SCHEMBL28403833 0.83 CYP19A1 (0.65) CYP1A1CYP1B1NQO2KDM4EMEN1
SCHEMBL15105021 0.81 TRPA1 (0.63) CYP1A1CYP1B1KDM4EMEN1ALDH1A1
SCHEMBL3869325 0.81 TRPA1 (0.63) CYP1A1CYP1B1KDM4EMEN1ALDH1A1
SCHEMBL29288278 0.80 GRIN1 (0.56) KDM4EMEN1ALDH1A1TP53CYP3A4

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 11 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 claimed
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 claimed
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 claimed
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 CYP1A1 2551/4885CYP1B1 2811/4885NQO2 4644/4885

“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.