SCHEMBL3678635

SCHEMBL3678635

COc1cc2c(O)cc(C)cc2c(C)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
MAPT P10636 3/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
APEX1 P27695 2/20 0.43
RECQL P46063 2/20 0.43
ABL1 P00519 1/20 0.43
PKM P14618 1/20 0.43
BLM P54132 1/20 0.43
CDK5 Q00535 1/20 0.43
MCL1 Q07820 1/20 0.43
RIN1 Q13671 1/20 0.43
CDK5R1 Q15078 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
CYP19A1 P11511 1/20 0.39
NQO2 P16083 1/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL13063508 0.83 ACHE (0.61) ACHEMAPTCYP3A4KDM4EPOLB
SCHEMBL3672887 0.80 TUBB4A (0.42) MAPTCYP3A4KDM4EPOLBGAA
SCHEMBL27773846 0.80 ACHE (0.44) ACHEMAPTCYP3A4KDM4EPOLB
SCHEMBL3776039 0.79 TPMT (0.64) KDM4EPOLBPKMALDH1A1TUBB4A
SCHEMBL13063506 0.79 ALDH1A1 (0.49) MAPTCYP3A4KDM4EPOLBGAA
SCHEMBL1427958 0.77 ACHE (0.70) ACHEMAPTCYP3A4KDM4EPOLB
SCHEMBL29421895 0.77 ACHE (0.70) ACHEMAPTCYP3A4KDM4EPOLB
SCHEMBL3786723 0.74 MAPT (0.42) ACHEMAPTCYP3A4KDM4EPOLB
SCHEMBL26437118 0.73 SELL (0.61) ACHEMAPTCYP3A4KDM4EPOLB
SCHEMBL5069079 0.73 CYP3A4 (0.45) ACHEMAPTCYP3A4KDM4EPOLB

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 9 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
EP-2231573-A1 GOSSYPOL AND APOGOSSYPOL DERIVATIVES, PREPARATION THEREOF AND USES THEREOF Universite Du Maine (Le Mans) (FR) 2010-09-29 EP disclosed
WO-2009080949-A1 GOSSYPOL AND APOGOSSYPOL DERIVATIVES, PREPARATION THEREOF AND USES THEREOF UNIVERSITE DU MAINE (LE MANS) (FR) 2009-07-02 WO 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 ACHE 2739/4885MAPT 2563/4885CYP3A4 197/4885

“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.