SCHEMBL10088697

SCHEMBL10088697

CCCc1ccc(COc2ccc3c(c2)OCC(CN2CC(C(=O)O)C2)=C3Cl)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.68
S1PR5 Q9H228 8/20 0.68
S1PR4 O95977 1/20 0.68
S1PR3 Q99500 3/20 0.54
LTK P29376 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
PDGFRA P16234 1/20 0.46
ROCK1 Q13464 1/20 0.46
PRKX P51817 1/20 0.45
ACVR1 Q04771 1/20 0.45

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
SCHEMBL10088688 0.92 S1PR1 (0.68) S1PR1S1PR5S1PR4S1PR3LTK
SCHEMBL10088694 0.91 S1PR1 (0.76) S1PR1S1PR5S1PR4S1PR3
SCHEMBL677262 0.86 S1PR1 (0.84) S1PR1S1PR5S1PR4S1PR3
SCHEMBL10088696 0.85 S1PR1 (0.79) S1PR1S1PR5S1PR4S1PR3
SCHEMBL10088679 0.84 S1PR1 (0.61) S1PR1S1PR5S1PR4S1PR3LTK
SCHEMBL17527231 0.81 S1PR5 (0.46) S1PR1S1PR5S1PR3LTKTAOK1
SCHEMBL465051 0.81 S1PR1 (1.00) S1PR1S1PR5S1PR4S1PR3
Water SCHEMBL465058 0.80 S1PR1 (0.98) S1PR1S1PR5S1PR4S1PR3
Hydrochloric Acid SCHEMBL465151 0.80 S1PR1 (0.98) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1879585 0.80 S1PR1 (0.83) S1PR1S1PR5S1PR4S1PR3

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
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

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

“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.