SCHEMBL10132735

SCHEMBL10132735

CCC[C@@H](OC[C@H]1CO1)c1cccc(OC)c1/C=C/C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B1 P14061 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B2 P37059 1/20 0.40
MGLL Q99685 1/20 0.39
MAOB P27338 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FDPS P14324 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
THRB P10828 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
BCHE P06276 2/20 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
SCHEMBL6742367 1.00 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1
SCHEMBL6742571 0.92 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1
SCHEMBL10132715 0.90 MGLL (0.41) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1
SCHEMBL6742439 0.90 MGLL (0.41) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1
SCHEMBL10132776 0.88 L3MBTL1 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1
SCHEMBL6742299 0.88 MGLL (0.39) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1
SCHEMBL10132720 0.88 MGLL (0.39) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1
SCHEMBL6742387 0.88 L3MBTL1 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1
SCHEMBL13263923 0.88 MGLL (0.39) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1
SCHEMBL6741139 0.87 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
WO-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 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 (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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 CYP1A2 980/4885CYP3A4 792/4885CYP2D6 722/4885

“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.