SCHEMBL2869612

SCHEMBL2869612

CCOC(=O)COc1ccc(Sc2ccc(CO)cc2Cl)c2c1CCCC2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.54
PPARA Q07869 13/20 0.54
PPARG P37231 10/20 0.54
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRB3 P13945 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2876640 0.87 PPARD (0.49) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL2872690 0.84 ESR1 (0.41) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL2874632 0.84 PPARD (0.79) PPARDPPARAPPARG
SCHEMBL2872639 0.83 ESR1 (0.45) PPARDKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2867738 0.83 PPARD (0.62) PPARDPPARAPPARG
SCHEMBL14526028 0.75 ESR1 (0.55) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL24133236 0.73 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2876703 0.71 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL14526124 0.71 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL15372567 0.70 ESR1 (0.44) PPARDPPARAKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435946-B1 LINKED BIARYL COMPOUNDS AMGEN INC (US) 2013-11-06 EP disclosed
EP-1435946-B1 LINKED BIARYL COMPOUNDS AMGEN INC (US) 2013-11-06 EP disclosed
US-7645779-B2 Linked biaryl compounds AMGEN INC. (US) 2010-01-12 US disclosed
US-7645779-B2 Linked biaryl compounds AMGEN INC. (US) 2010-01-12 US disclosed
US-7645779-B2 Linked biaryl compounds AMGEN INC. (US) 2010-01-12 US disclosed
US-20080161351-A1 Linked biaryl compounds TULARIK INC. 2008-07-03 US disclosed
US-20080161351-A1 Linked biaryl compounds TULARIK INC. 2008-07-03 US disclosed
US-20080161351-A1 Linked biaryl compounds TULARIK INC. 2008-07-03 US disclosed
EP-1435946-A4 LINKED BIARYL COMPOUNDS TULARIK INC (US) 2006-02-01 EP disclosed
US-6869975-B2 Linked biaryl compounds TULARIK INC. (US) 2005-03-22 US disclosed
EP-1435946-A2 LINKED BIARYL COMPOUNDS Tularik Inc. (US) 2004-07-14 EP disclosed
US-20030149108-A1 Linked biaryl compounds TULARIK INC. 2003-08-07 US disclosed
WO-2003024395-A2 LINKED BIARYL COMPOUNDS TULARIK INC. (US) 2003-03-27 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 (2 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-20030149108-A1 Linked biaryl compounds SREBF2, SREBF1, ACACB PPARD 55/4885PPARA 89/4885PPARG 31/4885
US-20080161351-A1 Linked biaryl compounds SREBF2, SREBF1, ACACB PPARD 55/4885PPARA 89/4885PPARG 31/4885

“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.