SCHEMBL10088652

SCHEMBL10088652

CC(C)Oc1ccc(COc2ccc3c(c2)OCC(C=O)=C3)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.46
S1PR4 O95977 1/20 0.45
S1PR5 Q9H228 1/20 0.45
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
AR P10275 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
ALOX5 P09917 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL10088454 0.93 S1PR1 (0.40) S1PR1S1PR4S1PR5ARMAOA
SCHEMBL10088598 0.90 S1PR1 (0.37) S1PR1S1PR4S1PR5RXRARXRB
SCHEMBL10088605 0.89 FFAR1 (0.38) S1PR1S1PR4S1PR5RXRARXRB
SCHEMBL10089019 0.88 AR (0.38) S1PR1S1PR4S1PR5RXRARXRB
SCHEMBL10088597 0.86 S1PR1 (0.36) S1PR1MAOAMAOB
SCHEMBL10088536 0.86 CSNK2A1 (0.40) S1PR1S1PR4S1PR5MAOAMAOB
SCHEMBL10088533 0.86 S1PR1 (0.42) S1PR1S1PR4S1PR5RXRARXRB
SCHEMBL10088949 0.86 MRGPRX4 (0.37) S1PR1S1PR4S1PR5ARMAOA
SCHEMBL10088610 0.85 S1PR1 (0.37) S1PR1S1PR4S1PR5ARMAOA
SCHEMBL10089013 0.85 PDE3B (0.37) S1PR1ARMAOAMAOBALOX5

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 8 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-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US 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
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

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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 S1PR1 1/4885S1PR4 5/4885S1PR5 4/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 S1PR1 1/4885S1PR4 3/4885S1PR5 7/4885

“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.