SCHEMBL2815307

SCHEMBL2815307

CC1(C)OCc2cc(C(=O)O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
GRM1 Q13255 1/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
RXRA P19793 6/20 0.44
RXRB P28702 5/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
RARB P10826 6/20 0.43
RARG P13631 6/20 0.43

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
SCHEMBL14898029 0.74 RXRA (0.50) ALDH1A1KDM4EMAPTTDP1POLB
SCHEMBL14898030 0.74 RXRA (0.47) ALDH1A1KDM4EMAPTTDP1POLB
SCHEMBL30591620 0.74 KDM4E (0.43) ALDH1A1KDM4EMAPTTDP1POLB
SCHEMBL29503145 0.73 KDM1A (0.44) ALDH1A1KDM4EKDM1A
SCHEMBL17193806 0.73 CYP3A4 (0.36) ALDH1A1KDM4ETDP1TRPM8
SCHEMBL29355642 0.72 ALOX5 (0.46) ALDH1A1KDM4EMAPTTDP1POLB
SCHEMBL17193999 0.72 PGR (0.44) ALDH1A1CA1CA2
SCHEMBL20068362 0.72 TDP2 (0.36)
SCHEMBL3036435 0.72 SLC6A4 (0.43)
SCHEMBL12619017 0.72 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTTDP1POLB

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
EP-2014653-A1 Novel dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2009-01-14 EP disclosed
WO-2008152149-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2008-12-18 WO 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 ALDH1A1 1608/4885KDM4E 2268/4885MAPT 3416/4885

“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.