SCHEMBL16191959

SCHEMBL16191959

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 7/20 0.61
▸ PTGS1 P23219 3/20 0.52
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TTR P02766 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PTGS2 P35354 1/20 0.47
▸ CYP19A1 P11511 1/20 0.45
▸ TUBB1 Q9H4B7 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL16191961 1.00 NQO2 (0.61) NQO2PTGS1MEN1KMT2ATP53
SCHEMBL919577 0.80 ALDH1A1 (0.55) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL16960424 0.80 TTR (0.54) NQO2PTGS1MEN1KMT2ATP53
SCHEMBL16954598 0.79 KMT2A (0.48) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL16191734 0.78 PTGS1 (0.70) NQO2PTGS1MEN1KMT2AKDM4E
SCHEMBL16951781 0.78 KDM4E (0.53) NQO2PTGS1MEN1KMT2ATP53
SCHEMBL16191732 0.78 PTGS1 (0.70) NQO2PTGS1MEN1KMT2AKDM4E
SCHEMBL16290846 0.78 PDE4A (0.54) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL20836735 0.78 PDE4A (0.54) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL13725392 0.78 RXRA (0.53) MEN1KMT2ATP53SMN1; SMN2KDM4E

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 4 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-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 NQO2 4644/4885PTGS1 2474/4885MEN1 624/4885

“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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