SCHEMBL10139272

SCHEMBL10139272

CC(C)Oc1ccc(CCC(N)(CO)CO)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.39
ALOX15 P16050 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
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
TNNC1 P63316 5/20 0.36
S1PR4 O95977 2/20 0.36
S1PR5 Q9H228 2/20 0.36
SGPL1 O95470 1/20 0.36
GPR183 P32249 1/20 0.36
CERS2 Q96G23 1/20 0.36
RARA P10276 3/20 0.36
RARB P10826 3/20 0.36
RARG P13631 3/20 0.36
KCNH2 Q12809 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36

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 SCHEMBL566087 0.99 S1PR1 (0.39) S1PR1ALOX15HDAC11S1PR3CYP3A4
SCHEMBL566953 0.86 HDAC11 (0.33) S1PR1HDAC11CYP3A4CYP2D6RARA
SCHEMBL10139270 0.86 RARA (0.45) S1PR1ALOX15HDAC11S1PR3CYP3A4
SCHEMBL565403 0.83 KDM4E (0.40) S1PR1HDAC11CYP3A4RARARARB
SCHEMBL566429 0.81 S1PR1 (0.60) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
Hydrochloric Acid SCHEMBL567052 0.81 S1PR1 (0.59) S1PR1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL2867798 0.80 RARA (0.43) S1PR1ALOX15HDAC11S1PR3CYP3A4
SCHEMBL10139271 0.80 HDAC11 (0.53) S1PR1ALOX15HDAC11S1PR3RARA
Hydrochloric Acid SCHEMBL566401 0.79 RARB (0.42) S1PR1ALOX15HDAC11S1PR3CYP3A4
SCHEMBL566214 0.78 POLB (0.43) S1PR1ALOX15HDAC11RARARARB

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 2 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

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 S1PR1 1/4885ALOX15 633/4885HDAC11 1612/4885

“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.