SCHEMBL6848726

SCHEMBL6848726

C=C(C(=O)C=Cc1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.44
MCL1 Q07820 4/20 0.41
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
LCK P06239 2/20 0.37
SRC P12931 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2B6 P20813 1/20 0.36
PTGS2 P35354 1/20 0.35
CXCL12 P48061 1/20 0.35
BACE1 P56817 2/20 0.35

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
SCHEMBL6853027 1.00 TTR (0.44) TTRMCL1MEN1POLBKMT2A
SCHEMBL6852840 0.76 CYP1A2 (0.59) TTRMCL1CYP1A2CYP2C9CYP3A4
SCHEMBL7163064 0.76 CYP1A2 (0.59) TTRMCL1CYP1A2CYP2C9CYP3A4
SCHEMBL6023835 0.74 PKM (0.55) TTRMCL1MEN1POLBKMT2A
SCHEMBL6023839 0.74 PKM (0.55) TTRMCL1MEN1POLBKMT2A
SCHEMBL7160153 0.74 GSR (0.50) TTRMCL1LCKCYP1A2CYP2C9
SCHEMBL7160152 0.74 GSR (0.50) TTRMCL1LCKCYP1A2CYP2C9
SCHEMBL30186421 0.71 TTR (0.54) TTRCYP1A2CYP2C9CYP3A4
SCHEMBL2390177 0.66 CYP3A4 (0.64) TTRCYP3A4PTGS2
SCHEMBL5693337 0.66 TTR (0.57) TTRMCL1KMT2APTGS2

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 TTR 4184/4885MCL1 2648/4885MEN1 4884/4885

“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.