SCHEMBL10089013

SCHEMBL10089013

CC(C)Nc1ccc(COc2ccc3c(c2)OCC(C=O)=C3)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
AR P10275 4/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
ALOX5 P09917 1/20 0.35
S1PR1 P21453 5/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32

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 0.85 S1PR1 (0.40) ARMAOAMAOBALOX5S1PR1
SCHEMBL10088652 0.85 S1PR1 (0.46) ARMAOAMAOBALOX5S1PR1
SCHEMBL10088949 0.83 MRGPRX4 (0.37) ARMAOAMAOBALOX5S1PR1
SCHEMBL10088605 0.83 FFAR1 (0.38) PDE3BPDE3AARMAOAMAOB
SCHEMBL10089019 0.81 AR (0.38) ARMAOAMAOBALOX5S1PR1
SCHEMBL10088604 0.81 S1PR1 (0.47) S1PR1
SCHEMBL10088612 0.80 AR (0.35) PDE3BPDE3AARMAOAMAOB
SCHEMBL10088598 0.80 S1PR1 (0.37) ARMAOAMAOBALOX5S1PR1
SCHEMBL10088900 0.80 MAOB (0.55) ARMAOAMAOBALOX5MEN1
SCHEMBL10088601 0.80 MAOB (0.39) ARMAOAMAOBALOX5S1PR1

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 4 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
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 PDE3B 655/4885PDE3A 806/4885AR 559/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 PDE3B 863/4885PDE3A 1066/4885AR 398/4885

“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.