SCHEMBL6851587

SCHEMBL6851587

O=C1C(=Cc2cc(Cl)c(O)c(Cl)c2)CCCC1=Cc1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.68
MEN1 O00255 3/20 0.68
MAPT P10636 3/20 0.68
KMT2A Q03164 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
ALDH1A1 P00352 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
HPGD P15428 2/20 0.68
CYP2C19 P33261 1/20 0.68
GAA P10253 4/20 0.61
LMNA P02545 2/20 0.61
HTT P42858 2/20 0.61
ALPG P10696 1/20 0.61
CYP2C9 P11712 4/20 0.56
F3 P13726 2/20 0.56
HSD11B1 P28845 1/20 0.56
EGFR P00533 5/20 0.51
CYP3A4 P08684 3/20 0.51
NFE2L2 Q16236 1/20 0.51
EP300 Q09472 1/20 0.51

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
SCHEMBL6851585 1.00 CYP1A2 (0.68) CYP1A2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL6851634 0.93 CYP2C9 (0.62) CYP1A2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL6851638 0.93 CYP2C9 (0.62) CYP1A2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL29259516 0.82 MEN1 (0.49) CYP1A2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL29259517 0.82 MEN1 (0.49) CYP1A2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL6853627 0.79 CYP2C9 (0.86) CYP1A2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL6853810 0.79 CYP2C9 (0.86) CYP1A2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL17899520 0.79 CYP1A2 (0.65) CYP1A2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL29259308 0.78 LY96 (0.54) CYP1A2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL29259307 0.78 LY96 (0.54) CYP1A2MEN1MAPTKMT2ASMN1; SMN2

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 CYP1A2 258/4885MEN1 4884/4885MAPT 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.