SCHEMBL10171810

SCHEMBL10171810

CC1CC2CC(C)C(c3cc(CCC(N)(CO)CO)ccc3O)(C1)C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
S1PR1 P21453 7/20 0.36
TNNC1 P63316 6/20 0.36
SGPL1 O95470 1/20 0.36
S1PR4 O95977 1/20 0.36
GPR183 P32249 1/20 0.36
CERS2 Q96G23 1/20 0.36
S1PR5 Q9H228 1/20 0.36
ALOX15 P16050 1/20 0.36
SPHK2 Q9NRA0 2/20 0.31
SPHK1 Q9NYA1 1/20 0.31

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
SCHEMBL2867798 0.80 RARA (0.43) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL566401 0.79 RARB (0.42) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL13380473 0.79 S1PR3 (0.36) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL566419 0.72 RARB (0.51) S1PR3CYP3A4S1PR1TNNC1SGPL1
Hydrochloric Acid SCHEMBL566817 0.71 RARB (0.50) CYP3A4S1PR1ALOX15
SCHEMBL10139270 0.68 RARA (0.45) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL10139272 0.67 S1PR1 (0.39) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL10171069 0.67 S1PR1 (0.57) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL566087 0.67 S1PR1 (0.39) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL2867806 0.66 NUDT1 (0.40) S1PR3CYP3A4CYP2C8CYP2D6CYP2C9

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 1 patent. 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 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 S1PR3 3/4885CYP3A4 4526/4885CYP2C8 4568/4885

“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.