SCHEMBL1120855

SCHEMBL1120855

CCOC(=O)CCc1[nH]c2cc(OC)ccc2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
HSD17B10 Q99714 4/20 0.49
KMT2A Q03164 3/20 0.49
ALOX15 P16050 2/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 8/20 0.49
HPGD P15428 6/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
GPR17 Q13304 1/20 0.47
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 3/20 0.43

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
SCHEMBL1120821 0.85 GAA (0.52) ALDH1A1HSD17B10KMT2AMEN1KDM4E
SCHEMBL7836624 0.80 MAPT (0.54) ALDH1A1HSD17B10KMT2AMEN1KDM4E
SCHEMBL21384325 0.78 MTNR1A (0.61) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL28819202 0.77 ALDH1A1 (0.64) ALDH1A1HSD17B10KMT2AMEN1KDM4E
SCHEMBL25904050 0.77 GAA (0.53) ALDH1A1HSD17B10KMT2AMEN1KDM4E
SCHEMBL4591801 0.77 KDM4E (0.46) ALDH1A1HSD17B10KMT2AMEN1KDM4E
SCHEMBL1120783 0.76 ALDH1A1 (0.80) ALDH1A1HSD17B10KMT2AALOX15MEN1
SCHEMBL22074492 0.76 MTNR1A (0.60) ALDH1A1HSD17B10KMT2AALOX15KDM4E
SCHEMBL8017453 0.73 MAPT (0.44) ALDH1A1HSD17B10KMT2AMEN1KDM4E
SCHEMBL4619391 0.72 CYP2D6 (0.64) ALDH1A1HSD17B10KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP disclosed
US-7598284-B2 Indazole compounds as B3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2009-10-06 US disclosed
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed
EP-1447400-B1 BICYCLIC COMPOUND ASAHI KASEI PHARMA CORP (JP) 2008-09-17 EP disclosed
EP-1935882-A1 Bicyclic compounds Asahi Kasei Pharma Corporation (JP) 2008-06-25 EP disclosed
US-20080076815-A1 Indole compounds as B3 androceptor agonist ASHI KASEI PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ASAHI KASEI PHARMA CORPORATION (JP) 2008-01-17 US disclosed
US-7271190-B2 Indazole compounds as β3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2007-09-18 US disclosed
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US disclosed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 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 (3 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-20050020602-A1 Bicyclic compound GOT1, H1-0, HSD11B1 ALDH1A1 741/4885HSD17B10 111/4885KMT2A 2519/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R ALDH1A1 3711/4885HSD17B10 2052/4885KMT2A 2805/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 ALDH1A1 3156/4885HSD17B10 2004/4885KMT2A 3310/4885

“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.