SCHEMBL10088933

SCHEMBL10088933

OCc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.44
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
KIF11 P52732 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
G6PD P11413 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AR P10275 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
SCHEMBL2020809 0.86 S1PR1 (0.47) S1PR1RXRARXRBRXRGKIF11
SCHEMBL13350088 0.85 RXRA (0.58) S1PR1RXRARXRBRXRGKIF11
SCHEMBL16650844 0.83 KDM4E (0.43) S1PR1KDM4EALDH1A1MEN1USP2
SCHEMBL16616052 0.83 KIF11 (0.42) S1PR1KIF11KDM4EALDH1A1MEN1
SCHEMBL11991664 0.82 S1PR1 (0.44) S1PR1RXRARXRBRXRGKIF11
SCHEMBL15351230 0.81 MRGPRX4 (0.43) KDM4EALDH1A1MEN1USP2HSP90AA1
SCHEMBL10088906 0.81 NPC1 (0.52) KDM4EALDH1A1MEN1USP2HSP90AA1
SCHEMBL26291312 0.81 XDH (0.47) S1PR1RXRARXRBRXRGKIF11
SCHEMBL79041 0.81 RXRA (0.56) S1PR1RXRARXRBRXRGMAPT
SCHEMBL1437536 0.81 S1PR1 (0.58) S1PR1RXRARXRBRXRGKIF11

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
EP-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 EP disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 WO 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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 S1PR1 1/4885RXRA 552/4885RXRB 556/4885

“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.