SCHEMBL12337602

SCHEMBL12337602

CCCCCCCOc1ccc(CCCC)cc1C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.71
THRB P10828 2/20 0.53
THRA P10827 1/20 0.53
HTT P42858 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
RAD52 P43351 2/20 0.44
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
S1PR4 O95977 2/20 0.43
S1PR5 Q9H228 2/20 0.43
GLA P06280 1/20 0.43
APAF1 O14727 2/20 0.42
PLA2G2D Q9UNK4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BIRC5 O15392 1/20 0.41
RXRA P19793 1/20 0.41

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
SCHEMBL13851992 0.91 S1PR1 (0.71) S1PR1THRBTHRAHTTMAPT
SCHEMBL13665201 0.90 S1PR1 (0.63) S1PR1THRBTHRAHTTMAPT
SCHEMBL93042 0.87 S1PR1 (0.57) S1PR1THRBTHRASMN1; SMN2GLA
SCHEMBL13665319 0.87 S1PR1 (0.66) S1PR1THRBTHRASMN1; SMN2S1PR4
SCHEMBL2467024 0.87 S1PR1 (0.62) S1PR1THRBTHRAMAPTMEN1
SCHEMBL2468704 0.87 S1PR1 (0.70) S1PR1THRBTHRAS1PR4S1PR5
SCHEMBL13851995 0.86 S1PR1 (0.65) S1PR1THRBTHRAS1PR4S1PR5
SCHEMBL10280847 0.86 S1PR1 (0.59) S1PR1THRBTHRAHTTMAPT
SCHEMBL13665426 0.86 S1PR1 (0.65) S1PR1THRBTHRAS1PR4S1PR5
SCHEMBL12336901 0.86 S1PR1 (0.83) S1PR1THRBTHRAS1PR4S1PR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961734-B1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2011-09-14 EP disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 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 (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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 S1PR1 370/4885THRB 536/4885THRA 705/4885

“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.