SCHEMBL6851637

SCHEMBL6851637

COc1cc(C=C2CCCC(=Cc3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.88
KMT2A Q03164 6/20 0.88
MAPT P10636 6/20 0.88
SMN1; SMN2 Q16637 4/20 0.88
LMNA P02545 4/20 0.88
HTT P42858 2/20 0.88
KDM4E B2RXH2 2/20 0.88
POLB P06746 2/20 0.88
CYP3A4 P08684 2/20 0.88
HPGD P15428 2/20 0.88
XBP1 P17861 2/20 0.88
CYP2B6 P20813 1/20 0.88
MPI P34949 1/20 0.88
RECQL P46063 1/20 0.88
BLM P54132 1/20 0.88
MCL1 Q07820 1/20 0.88
L3MBTL1 Q9Y468 1/20 0.88
HSD17B3 P37058 1/20 0.74
NOD2 Q9HC29 2/20 0.71
JUN P05412 1/20 0.71

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
SCHEMBL6851631 1.00 MEN1 (0.88) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL6855774 0.93 MAPT (1.00) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL6853712 0.93 MAPT (1.00) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL24510595 0.87 EGFR (0.75) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL624663 0.86 MAPT (0.75) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL624662 0.86 MAPT (0.75) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL17899519 0.85 HSD17B3 (1.00) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL30692873 0.84 HSD17B3 (0.74) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL1524476 0.83 MAPT (0.80) MEN1KMT2AMAPTSMN1; SMN2LMNA
Cyclovalone SCHEMBL1151847 0.83 MEN1 (1.00) MEN1KMT2AMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777447-B2 ANTIINFLAMMATORY AGENTS, BACTERICIDES, OXIDATION RESISTANCE, ANTICANCER AGENTS GADJAH MADA, FACULTY OF PHARMACY, UNIVERSITY OF, THE (ID) 2004-08-17 US claimed
US-20030092772-A1 Derivatives of benzylidene cyclohexanone, benzylidene cyclopentanone, and benzylidene acetone, and therapeutic uses thereof GADJAH MADA, FACULTY OF PHARMACY, UNIVERSITY OF, THE (ID) 2003-05-15 US claimed
US-6777447-B2 ANTIINFLAMMATORY AGENTS, BACTERICIDES, OXIDATION RESISTANCE, ANTICANCER AGENTS GADJAH MADA, FACULTY OF PHARMACY, UNIVERSITY OF, THE (ID) 2004-08-17 US disclosed
US-20030092772-A1 Derivatives of benzylidene cyclohexanone, benzylidene cyclopentanone, and benzylidene acetone, and therapeutic uses thereof GADJAH MADA, FACULTY OF PHARMACY, UNIVERSITY OF, THE (ID) 2003-05-15 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-20030092772-A1 Derivatives of benzylidene cyclohexanone, benzylidene cyclopentanone, and benzylidene acetone, and therapeutic uses thereof GSTK1, GSTP1, CAT MEN1 4884/4885KMT2A 4769/4885MAPT 3557/4885

“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.