SCHEMBL10088620

SCHEMBL10088620

CCc1sc(C=O)cc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.40
ALDH1A1 P00352 5/20 0.38
MAPT P10636 1/20 0.38
PLAU P00749 1/20 0.36
C1S P09871 1/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APP P05067 1/20 0.35
AR P10275 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CDC25B P30305 1/20 0.33
DUSP3 P51452 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
ADORA2A P29274 1/20 0.33
PLK1 P53350 1/20 0.33

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
SCHEMBL1826512 0.77 CYP2A6 (0.43) CYP2A6MAPTGLAHSD17B10KDM4E
SCHEMBL10088622 0.77 PELI1 (0.38) ALDH1A1MAPTL3MBTL1CDC25BDUSP3
SCHEMBL2836255 0.75 CYP2A6 (0.48) CYP2A6ALDH1A1APPMAPK1PLK1
SCHEMBL1823851 0.75 CYP2A6 (0.44) CYP2A6ALDH1A1MAPTHSD17B10APP
SCHEMBL27716027 0.75 ALDH1A1 (0.35) ALDH1A1MAPTPLAUC1SGLA
SCHEMBL31178606 0.73 CYP2A6 (0.40) CYP2A6ALDH1A1MAPTHSD17B10APP
SCHEMBL1802291 0.73 PLAU (0.47) ALDH1A1PLAUC1SHSD17B10L3MBTL1
SCHEMBL10088519 0.72 CYP2A6 (0.42) CYP2A6ALDH1A1MAPTPLAUC1S
SCHEMBL1801548 0.72 PLAU (0.46) ALDH1A1MAPTPLAUC1SHSD17B10
SCHEMBL11764805 0.71 CYP2A6 (0.39) CYP2A6ALDH1A1MAPTL3MBTL1KDM4E

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 9 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
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 (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 CYP2A6 2845/4885ALDH1A1 2201/4885MAPT 4495/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 CYP2A6 2606/4885ALDH1A1 2294/4885MAPT 4479/4885

“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.