SCHEMBL17700288

SCHEMBL17700288

CCOC(=O)CN(Cc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSPO P30536 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
CNR2 P34972 1/20 0.46
ESR1 P03372 1/20 0.46
NR4A1 P22736 1/20 0.46
PPID Q08752 1/20 0.46
PIN1 Q13526 1/20 0.46
LTA4H P09960 1/20 0.45
TP53 P04637 1/20 0.45
PPARG P37231 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL28301396 0.93 CYP2C19 (0.61) TSHRSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL6485863 0.90 TP53 (0.48) TSHRSMN1; SMN2ALDH1A1LMNATSPO
SCHEMBL8624227 0.89 SMN1; SMN2 (0.57) TSHRSMN1; SMN2ALDH1A1PPIDLTA4H
SCHEMBL4533147 0.86 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1LMNAL3MBTL1PPID
SCHEMBL6778001 0.86 TSPO (0.43) TSHRSMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL8089314 0.85 SMN1; SMN2 (0.58) TSHRSMN1; SMN2ALDH1A1PPIDLTA4H
SCHEMBL6486619 0.85 SMN1; SMN2 (0.54) TSHRSMN1; SMN2ALDH1A1CNR2LTA4H
SCHEMBL12762278 0.85 SMN1; SMN2 (0.54) TSHRSMN1; SMN2ALDH1A1PPIDLTA4H
SCHEMBL4517708 0.84 SMN1; SMN2 (0.53) TSHRSMN1; SMN2ALDH1A1PPIDLTA4H
SCHEMBL9031711 0.84 TSHR (0.53) TSHRALDH1A1CYP2C19CRHBPCRHR2

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
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 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 (1 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 TSHR 731/4885SMN1; SMN2 1516/4885ALDH1A1 3137/4885

“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.