SCHEMBL3782017

SCHEMBL3782017

COc1ccc2c(c1OC)C(O)OC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 1/20 0.46
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ACHE P22303 2/20 0.42
KDM4E B2RXH2 8/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 1/20 0.40
AR P10275 1/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
SIRT1 Q96EB6 1/20 0.38
PABPC1 P11940 1/20 0.38

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
SCHEMBL26123884 0.86 TTR (0.40) PTPRFHDAC4HDAC2HDAC8SMN1; SMN2
SCHEMBL6584591 0.84 MAPT (0.46) PTPRFHDAC4HDAC2HDAC8SMN1; SMN2
SCHEMBL22345863 0.83 PTPRF (0.36) PTPRFSMN1; SMN2ACHEKDM4EHPGD
SCHEMBL11474768 0.81 KDM4E (0.55) PTPRFHDAC4HDAC2HDAC8SMN1; SMN2
SCHEMBL3901331 0.80 AR (0.44) PTPRFACHEKDM4ETP53ALDH1A1
SCHEMBL20552496 0.80 AR (0.44) PTPRFACHEKDM4ETP53ALDH1A1
SCHEMBL3788674 0.77 SIRT1 (0.47) HDAC4HDAC2HDAC8SMN1; SMN2NPC1
SCHEMBL9503807 0.76 KDM4E (0.50) PTPRFHDAC4HDAC2HDAC8SMN1; SMN2
SCHEMBL8496004 0.75 CDK1 (0.54) SMN1; SMN2RAB9AACHEKDM4EHPGD
SCHEMBL27596875 0.74 MAPT (0.41) SMN1; SMN2NPC1RAB9AACHEKDM4E

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 PTPRF 4461/4885HDAC4 4633/4885HDAC2 3270/4885

“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.