SCHEMBL566014

SCHEMBL566014

O=Cc1ccc(C(O)c2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.48
KMT2A Q03164 1/20 0.44
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
PTGS1 P23219 1/20 0.42
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 2/20 0.39
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL28376765 0.82 MAOA (0.44) KMT2AALDH1A1KDM4ECYP2A6NR3C1
SCHEMBL2964 0.82
SCHEMBL10306547 0.82
SCHEMBL597442 0.82 IDO1 (0.46) KMT2AALDH1A1IDO1TDO2KDM4E
SCHEMBL6124173 0.81 ALDH1A1 (0.54) TYRKMT2AALDH5A1ABATALDH1A1
Methyl Alcohol SCHEMBL28227404 0.80 CYP2A6 (0.52) TYRKMT2AALDH5A1ABATPTGS1
SCHEMBL8596265 0.79 ALDH1A1 (0.37) TYRKMT2AALDH1A1IDO1TDO2
Hydrochloric Acid SCHEMBL2831797 0.79 PTGS1 (0.52) TYRKMT2AALDH5A1ABATPTGS1
SCHEMBL27803389 0.79 PTGS1 (0.52) TYRKMT2AALDH5A1ABATPTGS1
SCHEMBL27434835 0.79 PTGS1 (0.52) TYRKMT2AALDH5A1ABATPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 TYR 4549/4885KMT2A 2555/4885ALDH5A1 3296/4885

“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.