SCHEMBL566606

SCHEMBL566606

CC1(C)C2CCC(CCOc3ccc(CCC(N)(CO)CO)cc3)C1C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 1.00
S1PR1 P21453 6/20 0.43
HDAC6 Q9UBN7 2/20 0.38
TNNC1 P63316 5/20 0.38
S1PR3 Q99500 4/20 0.38
SGPL1 O95470 1/20 0.38
S1PR4 O95977 1/20 0.38
GPR183 P32249 1/20 0.38
CERS2 Q96G23 1/20 0.38
S1PR5 Q9H228 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CXCR3 P49682 1/20 0.34
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34

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 SCHEMBL566330 0.99 ALOX15 (0.98) ALOX15S1PR1HDAC6TNNC1S1PR3
SCHEMBL177077 0.83 ALOX15 (0.70) ALOX15S1PR1HDAC6S1PR3CYP3A4
SCHEMBL9996179 0.76 ALOX15 (0.60) ALOX15S1PR1HDAC6CXCR3
SCHEMBL176938 0.76 ALOX15 (0.61) ALOX15S1PR1HDAC6S1PR3S1PR4
SCHEMBL177509 0.75 ALOX15 (0.60) ALOX15S1PR1HDAC6CXCR3
SCHEMBL10139262 0.75 ALOX15 (0.60) ALOX15S1PR1HDAC6TNNC1S1PR3
SCHEMBL9996184 0.73 ALOX15 (0.57) ALOX15S1PR1HDAC6
SCHEMBL13628896 0.71 S1PR1 (0.69) ALOX15S1PR1TNNC1S1PR3SGPL1
SCHEMBL177044 0.71 S1PR1 (0.81) ALOX15S1PR1S1PR3S1PR5
SCHEMBL565835 0.70 ALOX15 (0.54) ALOX15S1PR1HDAC6TNNC1S1PR3

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-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US claimed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO claimed
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

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 ALOX15 633/4885S1PR1 1/4885HDAC6 2352/4885

“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.