SCHEMBL1120906

SCHEMBL1120906

COc1ccc2c(C)c(C=O)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
ALDH1A1 P00352 8/20 0.55
RXFP1 Q9HBX9 1/20 0.55
MAPT P10636 4/20 0.54
TUBB1 Q9H4B7 1/20 0.47
HPGD P15428 3/20 0.47
DYRK1A Q13627 3/20 0.47
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
DYRK3 O43781 1/20 0.47
CCNT1 O60563 1/20 0.47
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
CCNB1 P14635 1/20 0.47

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
SCHEMBL1337263 0.89 ALDH1A1 (0.58) KDM4EALDH1A1RXFP1MAPTHPGD
SCHEMBL14154118 0.83 KDM4E (0.57) KDM4EALDH1A1RXFP1MAPTTUBB1
SCHEMBL31498186 0.79 KDM4E (0.59) KDM4EALDH1A1RXFP1MAPTTUBB1
SCHEMBL5196745 0.79 KDM4E (0.59) KDM4EALDH1A1RXFP1MAPTTUBB1
SCHEMBL28873648 0.79 KDM4E (0.59) KDM4EALDH1A1RXFP1MAPTTUBB1
SCHEMBL436095 0.78 KDM4E (0.63) KDM4EALDH1A1RXFP1MAPTHPGD
SCHEMBL31451705 0.76 ALDH1A1 (0.53) KDM4EALDH1A1MAPTTUBB1HPGD
SCHEMBL394584 0.76 KDM4E (1.00) KDM4EALDH1A1RXFP1MAPTHPGD
SCHEMBL30634405 0.76 KDM4E (1.00) KDM4EALDH1A1RXFP1MAPTHPGD
SCHEMBL2330779 0.76 KDM4E (0.68) KDM4EALDH1A1RXFP1MAPTHPGD

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 741/4885RXFP1 1236/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R KDM4E 3516/4885ALDH1A1 3711/4885RXFP1 176/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 KDM4E 4115/4885ALDH1A1 3156/4885RXFP1 119/4885

“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.