SCHEMBL177586

SCHEMBL177586

CCCCCCCCc1ccc(N(C)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
RARB P10826 5/20 0.55
MEN1 O00255 1/20 0.55
RARA P10276 1/20 0.55
MAPT P10636 1/20 0.55
MTOR P42345 1/20 0.55
KMT2A Q03164 1/20 0.55
THRA P10827 4/20 0.54
THRB P10828 4/20 0.54
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
SHBG P04278 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL27621916 1.00 ALDH1A1 (0.57) ALDH1A1RARBMEN1RARAMAPT
SCHEMBL15796086 1.00 ALDH1A1 (0.57) ALDH1A1RARBMEN1RARAMAPT
SCHEMBL15766487 0.85 THRA (0.53) ALDH1A1RARBMEN1RARAMAPT
SCHEMBL11278924 0.83 ALDH1A1 (0.53) ALDH1A1RARBMEN1RARAMAPT
SCHEMBL2093854 0.83 THRA (0.50) ALDH1A1RARBMEN1RARAMAPT
SCHEMBL15766453 0.83 THRA (0.52) ALDH1A1RARBMEN1RARAMAPT
SCHEMBL19855418 0.81 THRB (0.60) ALDH1A1MEN1KMT2ATHRATHRB
SCHEMBL2093851 0.81 THRB (0.49) ALDH1A1MEN1KMT2ATHRATHRB
SCHEMBL17473002 0.81 ALDH1A1 (0.54) ALDH1A1RARBMEN1RARAMAPT
SCHEMBL9014662 0.80 ALDH1A1 (0.53) ALDH1A1RARBMEN1RARAMAPT

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
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 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 (3 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 ALDH1A1 3172/4885RARB 3359/4885MEN1 1409/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 ALDH1A1 3172/4885RARB 3359/4885MEN1 1409/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 ALDH1A1 3392/4885RARB 2515/4885MEN1 984/4885

“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.