SCHEMBL1121564

SCHEMBL1121564

CCOC(=O)c1[nH]c2cc(O)ccc2c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 5/20 0.59
MAPT P10636 3/20 0.59
HPGD P15428 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
GAA P10253 5/20 0.55
ALOX15 P16050 6/20 0.53
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPK10 P53779 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49

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
SCHEMBL3985463 0.88 KDM4E (0.71) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL24074581 0.84 ALDH1A1 (0.58) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL4042096 0.84 ALOX15 (0.74) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL3657595 0.83 GABRP (0.53) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL3988373 0.83 KDM4E (0.68) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL1120783 0.83 ALDH1A1 (0.80) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL31025922 0.81 ALDH1A1 (0.54) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL2880010 0.80 KDM4E (0.66) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL7688090 0.78 ALDH1A1 (0.74) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL7003886 0.78 TUBB4A (0.77) KDM4EALDH1A1MAPTHPGDGAA

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 KDM4E 4236/4885ALDH1A1 741/4885MAPT 4723/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R KDM4E 3516/4885ALDH1A1 3711/4885MAPT 3253/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 KDM4E 4115/4885ALDH1A1 3156/4885MAPT 2735/4885

“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.