SCHEMBL7013582

SCHEMBL7013582

O=C(O)[C@H](c1ccc(CBr)cc1)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HTR1E P28566 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR3 Q99500 1/20 0.44
CHRM3 P20309 3/20 0.42
CYP3A4 P08684 2/20 0.42
EPHX1 P07099 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL1069660 1.00 ALOX5 (0.45) ALOX5HDAC6LMNAMEN1MAPT
SCHEMBL27483589 0.88 CHRM3 (0.46) ALOX5HDAC6LMNAMEN1MAPT
SCHEMBL27388408 0.88 CHRM3 (0.46) ALOX5HDAC6LMNAMEN1MAPT
SCHEMBL1063230 0.87 LMNA (0.41) LMNAMEN1MAPTHTR1EKMT2A
SCHEMBL6217943 0.86 PTGS1 (0.36) ALOX5HDAC6TSHRPTGS1PTGS2
SCHEMBL10006210 0.84 NPC1 (0.46) ALOX5HDAC6LMNAMEN1MAPT
SCHEMBL27368748 0.84 BDKRB2 (0.48) ALOX5HDAC6LMNAMEN1MAPT
SCHEMBL27361339 0.84 BDKRB2 (0.48) ALOX5HDAC6LMNAMEN1MAPT
SCHEMBL8634916 0.83 CHRM3 (0.47) ALOX5HDAC6LMNAMEN1MAPT
SCHEMBL17846888 0.81 HTR1E (0.47) ALOX5HDAC6LMNAMEN1MAPT

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
EP-0799829-B1 Process for the preparation of enantiomerically pure cycloalkanoindole-, azaindole- and pyrimido [1,2a] indole carboxylic acids and their activated derivatives BAYER AG (DE) 2003-07-30 EP claimed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US disclosed
US-6194424-B1 ANTICHOLESTEROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2001-02-27 US disclosed
US-6114341-A TREATMENT OF ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
US-5952498-A SYNTHESIZING THE CHEMICAL INTERMEDIATES FOR ANTIATHEROSCLEROTICALLY ACTIVE DRUG BAYER AKTIENGESELLSCHAFT (DE) 1999-09-14 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 (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-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof PC, ACACA, PCCA ALOX5 782/4885HDAC6 1573/4885LMNA 456/4885

“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.