SCHEMBL12561902

SCHEMBL12561902

CC(C)(C)CCc1ccc(CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ CHKA P35790 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ TNNC1 P63316 5/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ SGPL1 O95470 1/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ GPR183 P32249 1/20 0.39
▸ CERS2 Q96G23 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ SLC13A5 Q86YT5 2/20 0.36

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
SCHEMBL12561568 0.86 CA2 (0.52) PPARATSHRTNNC1S1PR1SGPL1
SCHEMBL12561705 0.85 TNNC1 (0.43) PPARGPPARACHKATNNC1S1PR1
SCHEMBL2600042 0.81 ESR1 (0.60) ESR1CA2
SCHEMBL12561897 0.79 DAO (0.42) TSHRS1PR1NOS3NOS1PRSS1
SCHEMBL21076151 0.78 CYP1A2 (0.52) CHKATSHR
SCHEMBL31277355 0.78 TAAR1 (0.52) TSHRTNNC1S1PR1SGPL1S1PR4
SCHEMBL13183177 0.77 PPARG (0.36) PPARGPPARACHKATSHRTNNC1
SCHEMBL23095140 0.76 ESR1 (0.33) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL7388083 0.76 GFER (0.59) TSHRESR1
SCHEMBL21507869 0.76 ESR1 (0.33) TNNC1S1PR1SGPL1S1PR4GPR183

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714213-B2 4-aminomethylbenzoic acid derivative TOA EIYO LTD. (JP) 2017-07-25 — — US disclosed
US-9714213-B2 4-aminomethylbenzoic acid derivative TOA EIYO LTD. (JP) 2017-07-25 — — US disclosed
US-9586914-B2 Modulators of C3a receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-03-07 — — US disclosed
US-20160272577-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-09-22 — — US disclosed
US-20160264514-A1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA EIYO LTD. (JP) 2016-09-15 — — US disclosed
US-20160264514-A1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA EIYO LTD. (JP) 2016-09-15 — — US disclosed
EP-3059224-A1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA Eiyo Ltd. (JP) 2016-08-24 — — EP disclosed
US-9328071-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2016-05-03 — — US disclosed
US-20140309264-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-16 — — US disclosed
US-20140302069-A1 MODULATORS OF C3A RECEPTORS THE UNIVERSITY OF QUEENSLAND (AU) 2014-10-09 — — US disclosed
US-8802720-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2014-08-12 — — US disclosed
US-20130225605-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-08-29 — — US disclosed
US-8445530-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2013-05-21 — — US disclosed
US-20130030008-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-01-31 — — US disclosed
US-8362073-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2013-01-29 — — US disclosed
US-8211935-B2 Heterocyclic derivatives for modulation of calcium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-03 — — US disclosed
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 — — US disclosed
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-06-23 — — 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 (8 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-20160264514-A1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE ALDH7A1, CYP2B6, CYP2A6 PPARG 600/4885PPARA 860/4885CHKA 3571/4885
US-20160272577-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG PPARG 589/4885PPARA 606/4885CHKA 2017/4885
US-20130225605-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG PPARG 589/4885PPARA 606/4885CHKA 2017/4885
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG PPARG 589/4885PPARA 606/4885CHKA 2017/4885
US-20110178061-A1 HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS CACNA1D, ORAI1, CACNA1C PPARG 3028/4885PPARA 3608/4885CHKA 933/4885
US-20140302069-A1 MODULATORS OF C3A RECEPTORS C3AR1, C5AR2, C5AR1 PPARG 1186/4885PPARA 1081/4885CHKA 1874/4885
US-20140309264-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG PPARG 589/4885PPARA 606/4885CHKA 2017/4885
US-20130030008-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG PPARG 589/4885PPARA 606/4885CHKA 2017/4885

“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.

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