SCHEMBL6852840

SCHEMBL6852840

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.59
CYP2C9 P11712 5/20 0.59
CYP2D6 P10635 4/20 0.59
CYP3A4 P08684 3/20 0.59
CYP2B6 P20813 2/20 0.59
F3 P13726 2/20 0.48
HSD11B1 P28845 2/20 0.48
TYR P14679 1/20 0.48
PRMT1 Q99873 1/20 0.47
NFKB1 P19838 2/20 0.46
ALOX5 P09917 1/20 0.46
STAT3 P40763 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NFE2L2 Q16236 1/20 0.46
ALDH1A1 P00352 2/20 0.45
RECQL P46063 2/20 0.45
TTR P02766 2/20 0.45
PLIN1 O60240 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL7163064 1.00 CYP1A2 (0.59) CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6
SCHEMBL7160152 0.88 GSR (0.50) CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6
SCHEMBL7160153 0.88 GSR (0.50) CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6
SCHEMBL6023839 0.85 PKM (0.55) CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6
SCHEMBL6023835 0.85 PKM (0.55) CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6
SCHEMBL8490792 0.77 CYP1A2 (0.64) CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6
SCHEMBL8490788 0.77 CYP1A2 (0.64) CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6
SCHEMBL6853027 0.76 TTR (0.44) CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6
SCHEMBL6848726 0.76 TTR (0.44) CYP1A2CYP2C9CYP2D6CYP3A4CYP2B6
SCHEMBL2390177 0.75 CYP3A4 (0.64) CYP3A4ALOX5TTR

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-6541672-B1 Showing anti-bacterial, antioxidant, and anti-inflammatory activities that enable them to be used for drugs FACULTY OF PHARMACY, THE UNIVERSITY OF GADJAH MADA (ID) 2003-04-01 US claimed
EP-0860422-A1 Derivatives of benzylidene cyclohexanone, benzylidene cyclopentanone, and benzylidene acetone and their synthesis. The University of Gajah Mada (ID) 1998-08-26 EP 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 CYP1A2 258/4885CYP2C9 346/4885CYP2D6 112/4885

“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.