SCHEMBL3786723

SCHEMBL3786723

COc1cc2c(O)c(-c3c(C)cc4c(C)c(OC)c(OC)cc4c3O)c(C)cc2c(C)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.42
MCL1 Q07820 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ABL1 P00519 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
CDK5 Q00535 1/20 0.42
RIN1 Q13671 1/20 0.42
CDK5R1 Q15078 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
CYP19A1 P11511 2/20 0.41
NQO2 P16083 2/20 0.41
EPHX2 P34913 2/20 0.41
TUBB4A P04350 1/20 0.41

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
SCHEMBL3776350 0.82 PDE4A (0.45) MAPTCYP3A4MCL1KDM4EABL1
SCHEMBL2622274 0.81 MCL1 (0.58) MAPTCYP3A4MCL1KDM4EPOLB
SCHEMBL29740136 0.81 MCL1 (0.58) MAPTCYP3A4MCL1KDM4EPOLB
SCHEMBL12673487 0.77 MCL1 (0.54) MAPTCYP3A4MCL1KDM4EPOLB
SCHEMBL30143399 0.74 MCL1 (0.57) MAPTCYP3A4MCL1KDM4EPOLB
SCHEMBL13063307 0.74 CYP19A1 (0.42) MAPTCYP3A4KDM4ECYP19A1NQO2
SCHEMBL3678635 0.74 ACHE (0.50) MAPTCYP3A4MCL1KDM4EABL1
SCHEMBL30143404 0.73 MCL1 (0.66) MAPTCYP3A4MCL1KDM4EPOLB
SCHEMBL21002138 0.71 CYP3A4 (0.50) MAPTCYP3A4KDM4EPOLBGAA
SCHEMBL9656481 0.71 TDP1 (0.48) MAPTCYP3A4KDM4EEPHX2TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455540-B2 Gossypol and apogossypol derivatives, preparation thereof and uses thereof UNIVERSITE DU MAINE (LE MANS) (FR) 2013-06-04 US disclosed
US-8455540-B2 Gossypol and apogossypol derivatives, preparation thereof and uses thereof UNIVERSITE DU MAINE (LE MANS) (FR) 2013-06-04 US disclosed
US-8455540-B2 Gossypol and apogossypol derivatives, preparation thereof and uses thereof UNIVERSITE DU MAINE (LE MANS) (FR) 2013-06-04 US disclosed
US-20100331398-A1 DERIVES DU GOSSYPOL ET DE L'APOGOSSYPOL, LEURS PREPARATIONS ET LEURS APPLICTIONS UNIVERSITE DU MAINE (LE MANS) (FR) 2010-12-30 US disclosed
US-20100331398-A1 DERIVES DU GOSSYPOL ET DE L'APOGOSSYPOL, LEURS PREPARATIONS ET LEURS APPLICTIONS UNIVERSITE DU MAINE (LE MANS) (FR) 2010-12-30 US disclosed
US-20100331398-A1 DERIVES DU GOSSYPOL ET DE L'APOGOSSYPOL, LEURS PREPARATIONS ET LEURS APPLICTIONS UNIVERSITE DU MAINE (LE MANS) (FR) 2010-12-30 US disclosed
WO-2009080949-A1 GOSSYPOL AND APOGOSSYPOL DERIVATIVES, PREPARATION THEREOF AND USES THEREOF UNIVERSITE DU MAINE (LE MANS) (FR) 2009-07-02 WO 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-20100331398-A1 DERIVES DU GOSSYPOL ET DE L'APOGOSSYPOL, LEURS PREPARATIONS ET LEURS APPLICTIONS LSS, GRHPR, NR1H3 MAPT 2563/4885CYP3A4 197/4885MCL1 3714/4885

“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.