SCHEMBL566419

SCHEMBL566419

NC(CO)(CO)CCc1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.51
RARA P10276 6/20 0.49
RARG P13631 6/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49

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
Hydrochloric Acid SCHEMBL566817 0.99 RARB (0.50) RARBRARARARGMEN1KMT2A
SCHEMBL2867798 0.90 RARA (0.43) RARBRARARARGMEN1KMT2A
Hydrochloric Acid SCHEMBL566401 0.89 RARB (0.42) RARBRARARARGMEN1KMT2A
SCHEMBL10139271 0.84 HDAC11 (0.53) RARBRARARARGMEN1KMT2A
SCHEMBL16517420 0.77 RARB (0.60) RARBRARARARGMEN1KMT2A
SCHEMBL10139270 0.75 RARA (0.45) RARBRARARARGMEN1KMT2A
SCHEMBL24353029 0.74 RARB (0.64) RARBRARARARGMEN1KMT2A
SCHEMBL2915816 0.74 RARB (0.64) RARBRARARARGMEN1KMT2A
SCHEMBL29462799 0.74 RARB (0.64) RARBRARARARGMEN1KMT2A
SCHEMBL29920484 0.74 RARB (0.64) RARBRARARARGMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US claimed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO claimed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS 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 (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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 RARB 3838/4885RARA 4192/4885RARG 4003/4885

“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.