SCHEMBL10171828

SCHEMBL10171828

CCCc1cc2cc(OCC)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
CA5A P35218 1/20 0.46
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
HTR2B P41595 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
STS P08842 1/20 0.43
TLR8 Q9NR97 1/20 0.41

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
SCHEMBL7962840 0.79 FLT3 (0.61) CA12CA9MAOBMAOAKDM4E
SCHEMBL13799428 0.78 ALDH1A1 (0.50) CYP1A2CA12CA1CA4CA6
SCHEMBL11757529 0.77 MAOB (0.54) CYP1A2CA12CA1CA4CA6
SCHEMBL17401002 0.77 CYP1A2 (0.49) CYP1A2CA12CA1CA4CA6
SCHEMBL2329840 0.76 CYP2A6 (0.47) CA12CA1CA6CA7CA9
SCHEMBL9827183 0.76 CYP1A2 (0.45) CYP1A2CA12CA1CA4CA6
SCHEMBL12038075 0.76 F2 (0.44) CA12CA4CA6CA7CA9
SCHEMBL10139429 0.76 MAOB (0.46) CA12CA1CA4CA6CA7
SCHEMBL14552009 0.75 TLR8 (0.43) CA12CA1CA4CA6CA7
SCHEMBL8179634 0.75 TLR8 (0.47) MAOBMAOADRD2STSTLR8

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 3 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
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 CYP1A2 4278/4885CA12 4777/4885CA1 4809/4885

“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.