SCHEMBL741708

SCHEMBL741708

CCOc1ccc2ccc(O)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.57
ESR2 Q92731 3/20 0.57
LTA4H P09960 1/20 0.55
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
CYP1A2 P05177 2/20 0.48
NQO1 P15559 1/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ALDH1A1 P00352 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45

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
SCHEMBL14686116 0.96 LTA4H (0.59) ESR1ESR2LTA4HAKR1C3AKR1C2
SCHEMBL29779700 0.88 NQO1 (0.62) ESR2AKR1C3AKR1C2CYP1A2NQO1
SCHEMBL3821099 0.88 NQO1 (0.62) ESR2AKR1C3AKR1C2CYP1A2NQO1
SCHEMBL6048619 0.85 MEN1 (0.58) ESR1ESR2LTA4HCYP1A2KMT2A
SCHEMBL3764671 0.84 NQO1 (0.52) ESR1ESR2LTA4HAKR1C3AKR1C2
SCHEMBL23458226 0.83 NQO1 (0.62) ESR2LTA4HAKR1C3AKR1C2CYP1A2
SCHEMBL29629327 0.83 NQO1 (0.68) ESR2LTA4HAKR1C3AKR1C2CYP1A2
SCHEMBL3825385 0.83 NQO1 (0.68) ESR2LTA4HAKR1C3AKR1C2CYP1A2
SCHEMBL2735970 0.81 KMT2A (0.48) ESR1ESR2CYP1A2KMT2AMEN1
SCHEMBL6048615 0.81 NR5A1 (0.67) LTA4HKMT2AMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430006-B1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-26 EP disclosed
US-8697883-B2 Cyclopenta[C]pyrrole-2-carboxylate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-04-15 US disclosed
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-04-19 US disclosed
EP-2430006-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
WO-2010130944-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed
US-7151070-B2 Chiral catalyst, process for preparing the same and its use in the oxidate coupling of naphthols CHENGDU INSTITUTE OF ORGANIC CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2006-12-19 US disclosed
US-20050256345-A1 Chiral catalyst, process for preparing the same and its use in the oxidate coupling of naphthols CHENGDU INSTITUTE OF ORGANIC CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2005-11-17 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 (2 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-20050256345-A1 Chiral catalyst, process for preparing the same and its use in the oxidate coupling of naphthols BCAT2, BCAT1, NDUFV2 ESR1 2002/4885ESR2 1763/4885LTA4H 1460/4885
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF EPOR, ACAD9, CBR1 ESR1 2159/4885ESR2 1739/4885LTA4H 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.