SCHEMBL10139276

SCHEMBL10139276

NC(/C=C/c1ccc(-c2ccc(CNc3ccc(F)cc3)cc2)cc1)(CO)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.43
STING1 Q86WV6 1/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC4 P56524 1/20 0.40
MEF2D Q14814 1/20 0.40
AURKA O14965 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT3 P36888 1/20 0.38
MAPK8 P45983 1/20 0.38
CDK8 P49336 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
SCHEMBL25638556 0.78 LMNA (0.51) HDAC1HDAC8HDAC6HDAC4MEF2D
SCHEMBL25638526 0.74 APP (0.51) HDAC1HDAC8HDAC6HDAC4MEF2D
Hydrochloric Acid SCHEMBL566344 0.72 S1PR1 (0.46)
Hydrochloric Acid SCHEMBL566345 0.72 S1PR1 (0.46)
SCHEMBL10055033 0.71 LMNA (0.61) HDAC1HDAC8HDAC6AURKAABL1
SCHEMBL6419238 0.71 LMNA (0.61) HDAC1HDAC8HDAC6AURKAABL1
SCHEMBL25638642 0.70 NFE2L2 (0.57) HDAC4MEF2DFFAR1GAAMAPT
SCHEMBL11510992 0.70 FFAR1 (0.63) PPARASTING1HDAC1HDAC8HDAC6
SCHEMBL11464587 0.69 LMNA (0.49) PPARASTING1HDAC1HDAC8HDAC6
SCHEMBL20183614 0.67 PPARA (0.72) PPARASTING1P4HTMFFAR1FFAR4

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 5 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-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
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 PPARA 782/4885STING1 700/4885HDAC1 1849/4885

“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.