SCHEMBL81656

SCHEMBL81656

C[Si](C)(C)CCOCOc1ccc(CO)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.44
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
AR P10275 1/20 0.37

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
SCHEMBL79230 0.87 ALOX5AP (0.41) S1PR1ALOX5APFEN1RXRARXRB
SCHEMBL23580858 0.84 NPC1 (0.41) S1PR1ALOX5APFEN1
SCHEMBL31692917 0.83 ALOX5AP (0.47) S1PR1ALOX5APFEN1
SCHEMBL17733217 0.82 S1PR1 (0.41) S1PR1RXRARXRBRXRGAR
SCHEMBL86944 0.81 ALOX5AP (0.37) S1PR1ALOX5APFEN1RXRARXRB
SCHEMBL28917715 0.80 NPC1 (0.50)
SCHEMBL30279760 0.80 NPC1 (0.50)
SCHEMBL11991664 0.79 S1PR1 (0.44) S1PR1RXRARXRBRXRGAR
SCHEMBL31693045 0.78 ALOX5AP (0.42) ALOX5APFEN1RXRARXRBRXRG
SCHEMBL13350088 0.76 RXRA (0.58) S1PR1RXRARXRBRXRGAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
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
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C S1PR1 511/4885ALOX5AP 603/4885FEN1 4069/4885

“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.