SCHEMBL3500161

SCHEMBL3500161

CCOC(=O)c1cccc2c1CCCN2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
ADORA3 P0DMS8 1/20 0.43
MAPT P10636 5/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CLEC4M Q9H2X3 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK10 P53779 1/20 0.42
PTK2B Q14289 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ADRA1D P25100 1/20 0.42

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
SCHEMBL31686108 0.92 TSHR (0.53) TSHRALDH1A1HSD17B10MAPTKMT2A
SCHEMBL14774736 0.84 ALOX5 (0.43) TSHRALDH1A1HSD17B10KDM4ELMNA
SCHEMBL30832879 0.84 ALOX5 (0.43) TSHRALDH1A1HSD17B10KDM4ELMNA
Hydrochloric Acid SCHEMBL16195394 0.83 ALOX5 (0.42) TSHRALDH1A1HSD17B10KDM4EHTT
SCHEMBL14784833 0.78 TSHR (0.50) TSHRALDH1A1HSD17B10MAPTKMT2A
SCHEMBL988070 0.78 TSHR (0.50) TSHRALDH1A1HSD17B10MAPTKMT2A
SCHEMBL2346963 0.77 TSHR (0.46) TSHRALDH1A1HSD17B10MAPTKMT2A
SCHEMBL5227788 0.77 GFER (0.45) ALDH1A1HSD17B10MAPTALOX15KDM4E
SCHEMBL29858178 0.77 GFER (0.45) ALDH1A1HSD17B10MAPTALOX15KDM4E
SCHEMBL7276418 0.77 TSHR (0.56) TSHRALDH1A1HSD17B10MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 US disclosed
EP-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 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 (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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 TSHR 962/4885ALDH1A1 1850/4885HSD17B10 215/4885

“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.