SCHEMBL448168

SCHEMBL448168

COc1cc(CC(C)C)ccc1CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.51
TTR P02766 1/20 0.51
JUN P05412 1/20 0.51
NR3C1 P04150 1/20 0.51
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
MMP1 P03956 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 3/20 0.47
ALOX12 P18054 3/20 0.47
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
LDHA P00338 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL18269146 0.87 GABRA1 (0.52) FOSTTRJUNNR3C1HSD17B1
SCHEMBL3902747 0.86 FOS (0.47) FOSTTRJUNNR3C1HSD17B1
SCHEMBL18752221 0.84 TAAR1 (0.50) FOSTTRJUNNR3C1HSD17B1
SCHEMBL17748564 0.84 FOS (0.46) FOSTTRJUNNR3C1HSD17B1
SCHEMBL31280574 0.83 PDCD1 (0.51) TTRMMP1CYP3A4PDCD1CD274
SCHEMBL20200250 0.83 PDCD1 (0.51) TTRMMP1CYP3A4PDCD1CD274
SCHEMBL9393073 0.83 GABRA1 (0.45) FOSTTRJUNNR3C1HSD17B1
SCHEMBL932599 0.83 TTR (0.47) FOSTTRJUNNR3C1HSD17B1
SCHEMBL11723885 0.81 FOS (0.46) FOSTTRJUNNR3C1HSD17B1
SCHEMBL11719645 0.81 GAA (0.53) FOSTTRJUNNR3C1HSD17B1

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-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-8039674-B2 Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 EP 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 (2 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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA FOS 3189/4885TTR 4060/4885JUN 4248/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 FOS 3563/4885TTR 4175/4885JUN 4488/4885

“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.