SCHEMBL10088934

SCHEMBL10088934

CC(C)(C)c1ccc2c(c1)OCC(C=O)=C2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
PTGS1 P23219 4/20 0.36
PTGS2 P35354 4/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP19A1 P11511 1/20 0.35
POLB P06746 2/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALOX5 P09917 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10088925 0.77 CA9 (0.48) PTGS1PTGS2ALDH1A1CA12CA9
SCHEMBL2324684 0.76 TYR (0.41) RARARARGPTGS1PTGS2ALDH1A1
SCHEMBL9810083 0.76 PTGS1 (0.44) PTGS1PTGS2POLBALOX5MAPT
SCHEMBL10088482 0.76 DRD5 (0.38) RARARARGPTGS1PTGS2
SCHEMBL9729530 0.76 ALOX5 (0.54) PTGS1PTGS2ALDH1A1CA12CA2
SCHEMBL31544361 0.76 ALOX5 (0.54) PTGS1PTGS2ALDH1A1CA12CA2
SCHEMBL10088938 0.75 CA12 (0.35) RARARARGPTGS1PTGS2ALDH1A1
SCHEMBL13366368 0.75 RARG (0.48) RARARARGALDH1A1CYP19A1POLB
SCHEMBL2330276 0.74 PTGS1 (0.44) RARARARGPTGS1PTGS2CA9
SCHEMBL10088907 0.73 ALOX5 (0.40) RARARARGPTGS1PTGS2POLB

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
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-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 RARA 2617/4885RARG 2734/4885PTGS1 361/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 RARA 2056/4885RARG 2059/4885PTGS1 371/4885

“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.