SCHEMBL3782828

SCHEMBL3782828

COc1ccc2c(c1OC)C(=O)N(c1ccccc1)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
POLB P06746 1/20 1.00
RAB9A P51151 2/20 0.76
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
KDM4E B2RXH2 2/20 0.67
HSD17B10 Q99714 2/20 0.67
MAPK1 P28482 1/20 0.61
ALPL P05186 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
HSPA1A P0DMV8 1/20 0.50
PABPC1 P11940 1/20 0.50
HIF1A Q16665 1/20 0.49
PTGER4 P35408 1/20 0.48
NR1H3 Q13133 2/20 0.47
NR1H2 P55055 1/20 0.47

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
SCHEMBL4368104 0.77 KDM4E (0.66) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL11747305 0.77 ALDH1A1 (0.62) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL3278153 0.76 ALDH1A1 (0.60) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL4367705 0.75 ALDH1A1 (0.60) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL20735130 0.75 ALDH1A1 (0.59) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL17948241 0.75 PRMT1 (0.68) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL4368102 0.73 CNR2 (0.59) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL20830396 0.71 ALDH1A1 (0.56) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL30758585 0.71 ALDH1A1 (0.55) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL29168848 0.71 ALDH1A1 (0.55) ALDH1A1POLBRAB9AMEN1KMT2A

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-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

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 ALDH1A1 2349/4885POLB 4135/4885RAB9A 2628/4885

“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.