SCHEMBL5333596

SCHEMBL5333596

COc1ccc(CCc2ccccc2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.61
TP53 P04637 1/20 0.61
ABCB1 P08183 1/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
FOLH1 Q04609 1/20 0.51
SLC6A5 Q9Y345 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
BRS3 P32247 1/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 1/20 0.50
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
FPR2 P25090 1/20 0.49
ALOX5 P09917 1/20 0.49
F2RL1 P55085 1/20 0.49
LPAR1 Q92633 1/20 0.48
FABP4 P15090 1/20 0.48

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
SCHEMBL24247811 0.88 ABCB1 (0.51) USP2TP53ABCB1NPC1RAB9A
SCHEMBL7736291 0.87 FFAR1 (0.56) FOLH1KMT2AALDH1A1FFAR1FFAR4
SCHEMBL29817950 0.86 KMT2A (0.50) USP2TP53ABCB1NPC1RAB9A
SCHEMBL2839519 0.86 TSHR (0.66) USP2TP53NPC1RAB9AFOLH1
SCHEMBL21948598 0.85 USP2 (0.51) USP2TP53ABCB1NPC1RAB9A
SCHEMBL20646755 0.85 ALDH1A1 (0.51) USP2TP53ABCB1NPC1RAB9A
SCHEMBL3559585 0.84 PGR (0.57) MEN1KMT2AALDH1A1
SCHEMBL293291 0.84 L3MBTL1 (0.57) USP2TP53ABCB1NPC1RAB9A
SCHEMBL27646700 0.84 CA1 (0.53) USP2TP53NPC1RAB9AMEN1
SCHEMBL4674534 0.84 ABCB1 (0.59) ABCB1RAB9AFABP4

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-6864287-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2005-03-08 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-0115690-A1 Dibenzocycloheptenylidenes AMERICAN HOME PRODUCTS CORPORATION (US) 1984-08-15 EP disclosed
EP-0090196-A1 Process for preparing dibenzyl-2-carboxylic acids and 3-substituted phthalides, as well as the resultant benzyl derivatives HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1983-10-05 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 USP2 1546/4885TP53 4835/4885ABCB1 2091/4885

“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.