SCHEMBL2812600

SCHEMBL2812600

O=C(O)c1ccc(CC2CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 2/20 0.56
GRIK1 P39086 2/20 0.56
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.49
LTA4H P09960 1/20 0.45
SRD5A2 P31213 1/20 0.44

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
SCHEMBL11590207 0.91 GRIK1 (0.53) KMT2AMEN1GRIK1ALDH1A1TP53
SCHEMBL13687812 0.91 KMT2A (0.50) KMT2AMEN1GRIK1ALDH1A1TP53
SCHEMBL11228193 0.90 KMT2A (0.58) KMT2AMEN1GRIK1ALDH1A1TP53
SCHEMBL27942038 0.88 ALDH1A1 (0.50) KMT2AMEN1GRIK1ALDH1A1GAA
SCHEMBL27979790 0.87 KMT2A (0.50) KMT2AMEN1GRIK1ALDH1A1TP53
SCHEMBL6260511 0.87 GBA1 (0.62) KMT2AMEN1GRIK1ALDH1A1TP53
SCHEMBL10998335 0.87 GRIK1 (0.47) KMT2AMEN1GRIK1ALDH1A1TP53
Hydrochloric Acid SCHEMBL6153782 0.86 GBA1 (0.61) KMT2AMEN1GRIK1ALDH1A1GAA
SCHEMBL10900982 0.85 RARB (0.50) KMT2AMEN1GRIK1ALDH1A1TP53
SCHEMBL1230853 0.84 MEN1 (0.58) KMT2AMEN1GAALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170850-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2014-09-24 EP disclosed
US-8809539-B2 Dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2014-08-19 US disclosed
US-8809539-B2 Dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2014-08-19 US disclosed
US-8809539-B2 Dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2014-08-19 US disclosed
US-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-09-30 US disclosed
US-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-09-30 US disclosed
US-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-09-30 US disclosed
CN-101784535-A Novel dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET SOC CIV 2010-07-21 CN disclosed
EP-2014653-A1 Novel dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2009-01-14 EP 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-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR2, S1PR5 KMT2A 3259/4885MEN1 1877/4885GRIK1 268/4885

“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.