SCHEMBL6851638

SCHEMBL6851638

O=C1C(=Cc2cc(Cl)c(O)c(Cl)c2)CCC1=Cc1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.62
CYP1A2 P05177 8/20 0.59
CYP3A4 P08684 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
MEN1 O00255 3/20 0.58
MAPT P10636 3/20 0.58
KMT2A Q03164 3/20 0.58
HPGD P15428 2/20 0.58
ALDH1A1 P00352 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 3/20 0.57
CYP2B6 P20813 2/20 0.57
HTT P42858 2/20 0.57
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.57
XBP1 P17861 1/20 0.57
MPI P34949 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57

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
SCHEMBL6851634 1.00 CYP2C9 (0.62) CYP2C9CYP1A2CYP3A4SMN1; SMN2MEN1
SCHEMBL6851587 0.93 CYP1A2 (0.68) CYP2C9CYP1A2CYP3A4SMN1; SMN2MEN1
SCHEMBL6851585 0.93 CYP1A2 (0.68) CYP2C9CYP1A2CYP3A4SMN1; SMN2MEN1
SCHEMBL29259516 0.85 MEN1 (0.49) CYP2C9CYP1A2CYP3A4SMN1; SMN2MEN1
SCHEMBL29259517 0.85 MEN1 (0.49) CYP2C9CYP1A2CYP3A4SMN1; SMN2MEN1
SCHEMBL29259308 0.81 LY96 (0.54) CYP2C9CYP1A2CYP3A4SMN1; SMN2MEN1
SCHEMBL29259307 0.81 LY96 (0.54) CYP2C9CYP1A2CYP3A4SMN1; SMN2MEN1
SCHEMBL30921742 0.77 MAPT (0.55) CYP2C9CYP1A2CYP3A4SMN1; SMN2MEN1
SCHEMBL31686223 0.77 SMN1; SMN2 (0.52) CYP2C9CYP1A2CYP3A4SMN1; SMN2MEN1
SCHEMBL6851626 0.77 CYP2C9 (1.00) CYP2C9CYP1A2CYP3A4SMN1; SMN2MEN1

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 CYP2C9 346/4885CYP1A2 258/4885CYP3A4 177/4885

“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.