SCHEMBL93042

SCHEMBL93042

CCCCc1ccc(OCCCc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.57
PSEN1 P49768 3/20 0.47
ALOX5 P09917 4/20 0.47
PPARG P37231 4/20 0.47
PTGES O14684 3/20 0.47
PPARD Q03181 4/20 0.42
PPARA Q07869 4/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BIRC5 O15392 1/20 0.39

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
SCHEMBL10280847 0.96 S1PR1 (0.59) S1PR1PSEN1ALOX5PPARGPTGES
SCHEMBL12337602 0.87 S1PR1 (0.71) S1PR1RXRARXRBRXRGTHRA
SCHEMBL93004 0.84 S1PR1 (0.55) S1PR1PSEN1ALOX5PPARGPTGES
SCHEMBL79227 0.81 S1PR1 (0.70) S1PR1
SCHEMBL79226 0.81 S1PR1 (0.70) S1PR1
SCHEMBL79510 0.81 S1PR1 (0.70) S1PR1
SCHEMBL15473186 0.81 PTGDR2 (0.52) S1PR1ALOX5PPARGPTGESPPARD
SCHEMBL79315 0.81 S1PR1 (0.60) S1PR1PSEN1ALOX5PPARGPTGES
SCHEMBL79242 0.81 S1PR1 (0.60) S1PR1PSEN1ALOX5PPARGPTGES
SCHEMBL79241 0.81 S1PR1 (0.60) S1PR1PSEN1ALOX5PPARGPTGES

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-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C S1PR1 511/4885PSEN1 4747/4885ALOX5 632/4885

“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.