SCHEMBL6907532

SCHEMBL6907532

C=CCc1ccc(C=O)c(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
KDM4E B2RXH2 1/20 0.40
ERN1 O75460 2/20 0.39
POLB P06746 1/20 0.39
AKR1B1 P15121 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ELANE P08246 1/20 0.38
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8817260 0.85 GABRA1 (0.42) GABRA1GABRB2KDM4EERN1POLB
SCHEMBL15676646 0.83 GABRA1 (0.64) GABRA1GABRB2KDM4EPOLBAKR1B1
SCHEMBL29952629 0.83 GABRA1 (0.61) GABRA1GABRB2KDM4EERN1POLB
SCHEMBL617923 0.83 GABRA1 (0.61) GABRA1GABRB2KDM4EERN1POLB
SCHEMBL5035892 0.78 GABRA1 (0.48) GABRA1GABRB2ERN1ALDH1A1L3MBTL1
SCHEMBL31450219 0.76 ERN1 (0.59) ERN1MEN1KMT2ALMNA
SCHEMBL17541404 0.76 ERN1 (0.59) ERN1MEN1KMT2ALMNA
SCHEMBL3957273 0.76 SRD5A1 (0.45) GABRA1GABRB2KDM4EERN1POLB
SCHEMBL9800334 0.76 POLB (0.49) GABRA1GABRB2KDM4EERN1POLB
SCHEMBL2575094 0.76 GABRA1 (0.43) GABRA1GABRB2KDM4EPOLBAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198302-B2 Anticancer agent having a quinone, quinone prodrug, catechol or catechol prodrug moiety; free of combretastatin A-1 OXIGENE, INC. (US) 2012-06-12 US disclosed
US-20040242696-A1 Compositions and methods with enhanced therapeutic activity MATEON THERAPEUTICS, INC. 2004-12-02 US 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-20040242696-A1 Compositions and methods with enhanced therapeutic activity NQO1, MKI67, COMT GABRA1 4558/4885GABRB2 4404/4885KDM4E 1518/4885

“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.