SCHEMBL6853810

SCHEMBL6853810

Cc1cc(/C=C2/CCC/C(=C\c3cc(C)c(O)c(C)c3)C2=O)cc(C)c1O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.86
CYP1A2 P05177 6/20 0.56
F3 P13726 2/20 0.56
HSD11B1 P28845 1/20 0.56
EGFR P00533 4/20 0.56
CYP3A4 P08684 3/20 0.56
NFE2L2 Q16236 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP2B6 P20813 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
XBP1 P17861 1/20 0.54
MPI P34949 1/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54

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
SCHEMBL6853627 1.00 CYP2C9 (0.86) CYP2C9CYP1A2F3HSD11B1EGFR
SCHEMBL6851626 0.93 CYP2C9 (1.00) CYP2C9CYP1A2F3HSD11B1EGFR
SCHEMBL30682161 0.93 CYP2C9 (1.00) CYP2C9CYP1A2F3HSD11B1EGFR
SCHEMBL6848698 0.93 CYP2C9 (1.00) CYP2C9CYP1A2F3HSD11B1EGFR
SCHEMBL28628324 0.82 CYP2C9 (0.74) CYP2C9CYP1A2CYP3A4MEN1KMT2A
SCHEMBL28628325 0.82 CYP2C9 (0.74) CYP2C9CYP1A2CYP3A4MEN1KMT2A
SCHEMBL6854900 0.79 CYP1A2 (0.87) CYP2C9CYP1A2F3HSD11B1EGFR
SCHEMBL6851658 0.79 CYP1A2 (0.87) CYP2C9CYP1A2F3HSD11B1EGFR
SCHEMBL6851587 0.79 CYP1A2 (0.68) CYP2C9CYP1A2F3HSD11B1EGFR
SCHEMBL6851585 0.79 CYP1A2 (0.68) CYP2C9CYP1A2F3HSD11B1EGFR

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-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
JP-10310547-A None JP disclosed
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
JP-H10310547-A DERIVATIVE OF BENZYLIDINE CYCLOHEXANONE, BENZYLIDINE CYCLOPENTANONE AND BENZYLIDINE ACETONE, AND SYNTHESIS THEREOF UNIV GAJAH MADA 1998-11-24 JP 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 CYP2C9 346/4885CYP1A2 258/4885F3 1267/4885

“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.