SCHEMBL177102

SCHEMBL177102

COc1ccc2c(c1)OC(CCc1ccc(O)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.47
CALM1 P0DP23 2/20 0.46
CYP19A1 P11511 2/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CA3 P07451 1/20 0.40
CYP24A1 Q07973 1/20 0.40
FFAR1 O14842 1/20 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
SCHEMBL177299 0.86 FFAR1 (0.39) HRH3FFAR1
SCHEMBL177321 0.81 SMN1; SMN2 (0.44) SMN1; SMN2FFAR1
SCHEMBL177071 0.81 HIF1A (0.44) MAPTFFAR1
SCHEMBL7288140 0.78 HRH3 (0.49) CYP19A1HRH3FFAR1
SCHEMBL7288132 0.78 HRH3 (0.49) CYP19A1HRH3FFAR1
SCHEMBL5505186 0.77 HRH3 (0.55) HRH3
SCHEMBL4234794 0.76 HRH3 (0.49) CYP19A1HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL12038120 0.74 MAOA (0.38) SMN1; SMN2
SCHEMBL30330184 0.73 CYP19A1 (0.50) CALM1CYP19A1MAPTSMN1; SMN2
SCHEMBL28057641 0.73 CYP19A1 (0.50) CALM1CYP19A1MAPTSMN1; 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 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 CYP26A1 3016/4885CALM1 4112/4885CYP19A1 3022/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 CYP26A1 3016/4885CALM1 4112/4885CYP19A1 3022/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 CYP26A1 3892/4885CALM1 3578/4885CYP19A1 4282/4885

“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.