SCHEMBL1988472

SCHEMBL1988472

COC(=O)c1cc(OCCc2cccc(Cl)c2)c(OC)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 1/20 0.49
▸ POLB P06746 2/20 0.47
▸ PKM P14618 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ACHE P22303 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HTR1A P08908 1/20 0.41

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
Isovanillic Acid Methyl Ester SCHEMBL1560813 0.91 LPAR1 (0.49) LPAR1POLBPKMMEN1KMT2A
SCHEMBL1990286 0.89 LPAR1 (0.51) LPAR1POLBPKMMEN1KMT2A
SCHEMBL1989114 0.83 LMNA (0.48) LPAR1POLBMEN1KMT2ACYP1A2
SCHEMBL1560333 0.81 LPAR1 (0.64) LPAR1POLBPKMMEN1KMT2A
Isovanillic Acid Methyl Ester SCHEMBL1560433 0.80 LPAR1 (0.50) LPAR1POLBMEN1KMT2ACYP1A2
SCHEMBL1561628 0.80 LPAR1 (0.58) LPAR1
SCHEMBL24057095 0.77 SMPD1 (0.56) MEN1KMT2AHDAC1LMNA
SCHEMBL30577381 0.77 SMPD1 (0.56) MEN1KMT2AHDAC1LMNA
SCHEMBL18690310 0.77 SMPD1 (0.56) MEN1KMT2AHDAC1LMNA
Isovanillic Acid Methyl Ester SCHEMBL1561708 0.76 LPAR1 (0.46) LPAR1POLBMEN1KMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 — — EP disclosed
US-20160272577-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-09-22 — — US 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-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-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 (5 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-20160272577-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG LPAR1 6/4885POLB 4747/4885PKM 3571/4885
US-20130225605-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG LPAR1 6/4885POLB 4747/4885PKM 3571/4885
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG LPAR1 6/4885POLB 4747/4885PKM 3571/4885
US-20140309264-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG LPAR1 6/4885POLB 4747/4885PKM 3571/4885
US-20130030008-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG LPAR1 6/4885POLB 4747/4885PKM 3571/4885

“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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