SCHEMBL5335032

SCHEMBL5335032

COc1ccc(/C=C/c2ccccc2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.61
SNCA P37840 5/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
LMNA P02545 1/20 0.59
RELA Q04206 4/20 0.58
NFE2L2 Q16236 2/20 0.58
KDM4E B2RXH2 1/20 0.58
PKM P14618 1/20 0.58
BCHE P06276 1/20 0.55
CYP3A4 P08684 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
MAOB P27338 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL5335033 1.00 TRPA1 (0.61) TRPA1SNCANPC1RAB9AMAPT
SCHEMBL5343618 0.86 BACE1 (0.59) TRPA1SNCANPC1RAB9AMAPT
SCHEMBL5332771 0.86 BACE1 (0.59) TRPA1SNCANPC1RAB9AMAPT
SCHEMBL10496427 0.84 RELA (0.64) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL30749687 0.84 NFE2L2 (0.62) MEN1KMT2ARELANFE2L2BCHE
SCHEMBL10496422 0.84 NFE2L2 (0.62) MEN1KMT2ARELANFE2L2BCHE
SCHEMBL9798136 0.84 NFE2L2 (0.62) MEN1KMT2ARELANFE2L2BCHE
SCHEMBL9797924 0.84 RELA (0.64) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL29542528 0.83 GRIK1 (0.58) TRPA1MAPTSMN1; SMN2LMNANFE2L2
SCHEMBL2291774 0.83 GRIK1 (0.58) TRPA1MAPTSMN1; SMN2LMNANFE2L2

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-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US disclosed
US-20040180884-A1 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2004-09-16 US disclosed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 EP disclosed
EP-0275501-B1 PROCESS FOR THE PREPARATION OF (Z)-2-(2-ARYLETHENYL)-ARYLCARBOXYLIC ACIDS BASF Aktiengesellschaft (DE) 1991-03-06 EP disclosed
US-4857658-A Preparation of (Z)-2-(2-arylethenyl)arylcarboxylic acids BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
EP-0275501-A1 Process for the preparation of (Z)-2-(2-arylethenyl)-arylcarboxylic acids BASF Aktiengesellschaft (DE) 1988-07-27 EP 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-20040180884-A1 Dibenzocycloheptene compound LTB4R2, LTA4H, LTC4S TRPA1 420/4885SNCA 4503/4885NPC1 1268/4885

“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.