SCHEMBL10088596

SCHEMBL10088596

CCOc1ccc(COc2ccc3c(c2)OCC(C=O)=C3)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.40
TACR2 P21452 1/20 0.39
MAOB P27338 7/20 0.37
MAOA P21397 4/20 0.37
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM5 P41594 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL10088536 0.88 CSNK2A1 (0.40) MAOBMAOALMNA
SCHEMBL10088654 0.87 MAOB (0.35) MAOBMAOASMN1; SMN2GRM5NPC1
SCHEMBL10088973 0.87 PPARA (0.37) MAOBMAOASMN1; SMN2NPC1RAB9A
SCHEMBL10088608 0.86 MAOB (0.40) MAOBMAOASMN1; SMN2GRM5L3MBTL1
SCHEMBL10088605 0.85 FFAR1 (0.38) FFAR1MAOBMAOASMN1; SMN2NPC1
SCHEMBL10088609 0.85 CSNK2A1 (0.44) MAOBMAOAGRM5
SCHEMBL10088603 0.85 S1PR1 (0.46) MAOBMAOASMN1; SMN2GRM5NPC1
SCHEMBL10088469 0.84 RORC (0.36) MAOBMAOASMN1; SMN2GRM5NPC1
SCHEMBL10088535 0.83 TACR2 (0.37) FFAR1TACR2LMNASMN1; SMN2NPC1
SCHEMBL10088563 0.81 MAOB (0.41) MAOBMAOASMN1; SMN2NPC1RAB9A

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 FFAR1 73/4885TACR2 241/4885MAOB 2521/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 FFAR1 42/4885TACR2 285/4885MAOB 3106/4885

“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.