SCHEMBL2134432

SCHEMBL2134432

CCc1cc(OCCCN(CC(C)(C)C)C(=O)O)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MAOB P27338 7/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
NR1H3 Q13133 1/20 0.35
PPARA Q07869 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2721919 0.81 KDM4E (0.52) KDM4EALDH1A1MAOBTHRATHRB
SCHEMBL2132602 0.79 KDM4E (0.36) KDM4EALDH1A1MAOBKMT2AMEN1
SCHEMBL2134426 0.76 PDK2 (0.47) KDM4EALDH1A1MAOBTHRATHRB
SCHEMBL13652565 0.74 CA12 (0.47) KDM4EALDH1A1THRATHRBKMT2A
SCHEMBL2133555 0.72 L3MBTL1 (0.44) KDM4EALDH1A1MAOBTHRATHRB
SCHEMBL22483601 0.71 CA12 (0.47) KDM4EALDH1A1MAOBKMT2AMAPT
SCHEMBL2721920 0.71 L3MBTL1 (0.49) KDM4EALDH1A1SMN1; SMN2
SCHEMBL2134422 0.71 PPARG (0.40) KDM4EALDH1A1KMT2AMEN1PPARA
SCHEMBL31111406 0.70 L3MBTL1 (0.50) KDM4EALDH1A1THRATHRBMAPT
SCHEMBL2133616 0.69 BRD4 (0.55) MAPTSMN1; SMN2

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
EP-2445892-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-02 EP disclosed
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 US disclosed
WO-2010148650-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-29 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-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 KDM4E 3897/4885ALDH1A1 2923/4885MAOB 3303/4885

“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.