SCHEMBL10083231

SCHEMBL10083231

BCc1ccc(C(=O)O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.50
RARB P10826 1/20 0.49
RXRA P19793 2/20 0.46
HMGB1 P09429 1/20 0.46
CXCL12 P48061 1/20 0.46
RXRB P28702 2/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
LDHA P00338 1/20 0.41
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
SRD5A2 P31213 1/20 0.40
KLKB1 P03952 1/20 0.40
CTSB P07858 1/20 0.40
MMP9 P14780 1/20 0.40
DNMT1 P26358 1/20 0.40
DNMT3B Q9UBC3 1/20 0.40
DNMT3L Q9UJW3 1/20 0.40
DNMT3A Q9Y6K1 1/20 0.40
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL107902 0.84 HMGB1 (0.58) NR1H4RARBRXRAHMGB1CXCL12
SCHEMBL1627397 0.82 NR1H4 (0.51) NR1H4RARBRXRAHMGB1CXCL12
SCHEMBL2343149 0.82 ALDH1A1 (0.55) NR1H4RARBRXRAHMGB1CXCL12
SCHEMBL7965223 0.81 NR1H4 (0.50) NR1H4RARBRXRAHMGB1CXCL12
SCHEMBL30965013 0.81 SRD5A2 (0.57) NR1H4RARBRXRAHMGB1CXCL12
SCHEMBL1712181 0.81 NR1H4 (0.50) NR1H4RARBRXRAHMGB1CXCL12
SCHEMBL33493 0.81 NR1H4 (0.50) NR1H4RARBRXRAHMGB1CXCL12
SCHEMBL1146167 0.81 NR1H4 (0.50) NR1H4RARBRXRAHMGB1CXCL12
SCHEMBL7025446 0.81 NR1H4 (0.50) NR1H4RARBRXRAHMGB1CXCL12
SCHEMBL23927631 0.79 RARB (0.51) NR1H4RARBRXRAHMGB1CXCL12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088077-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS SANOFI (FR) 2014-03-27 US disclosed
US-8552199-B2 Substituted indanes, method for the production thereof, and use thereof as drugs SANOFI (FR) 2013-10-08 US disclosed
US-20120022039-A1 NOVEL SUBSTITUTED INDANES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS SANOFI (FR) 2012-01-26 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-20140088077-A1 NOVEL SUBSTITUTED TETRAHYDRONAPHTHALENES, PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF AS MEDICAMENTS DHPS, CYP11B2, CYP11B1 NR1H4 138/4885RARB 3209/4885RXRA 3245/4885
US-20120022039-A1 NOVEL SUBSTITUTED INDANES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS DRUGS MCHR1, MCHR2, IDO1 NR1H4 159/4885RARB 4245/4885RXRA 4168/4885

“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.