SCHEMBL3779930

SCHEMBL3779930

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 5/20 0.58
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA4 P22748 2/20 0.51
CA6 P23280 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA3 P07451 1/20 0.51
PKM P14618 1/20 0.51
CA5A P35218 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
PTGS2 P35354 1/20 0.49
CNR2 P34972 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3776039 0.88 TPMT (0.64) TPMTCA12CA1CA2CA4
SCHEMBL13018858 0.86 KMT2A (0.48) TPMTCNR2HTTPOLBKMT2A
SCHEMBL28857298 0.84 CA1 (0.69) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 0.80 TPMT (0.78) TPMTCA12CA1CA2CA4
SCHEMBL3783450 0.80 TPMT (0.54) TPMTCA12CA1CA2CA4
SCHEMBL3787090 0.80 TPMT (0.54) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL10838612 0.79 TPMT (0.75) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL9739818 0.79 TPMT (0.75) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL11023602 0.79 TPMT (0.75) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL4080846 0.79 TPMT (0.75) TPMTCA12CA1CA2CA4

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 6 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
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 TPMT 1528/4885CA12 4201/4885CA1 4847/4885

“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.