SCHEMBL89177

SCHEMBL89177

COCCCn1cc(C(=O)O)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
EPHX2 P34913 2/20 0.43
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
HCAR3 P49019 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.38
MCL1 Q07820 1/20 0.38
MAPK10 P53779 1/20 0.38
CREBBP Q92793 1/20 0.37

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
SCHEMBL4248991 0.91 ALDH1A1 (0.51) ALDH1A1EPHX2BRD4BRD2BRD3
SCHEMBL13702326 0.83 EPHX2 (0.50) ALDH1A1EPHX2BRD4BRD2BRD3
SCHEMBL27795662 0.83 HCAR3 (0.43) ALDH1A1BRD4BRD2BRD3BRDT
SCHEMBL13701792 0.82 EPHX2 (0.42) ALDH1A1EPHX2BRD4BRD2BRD3
SCHEMBL10468639 0.81 CNR2 (0.46) ALDH1A1HCAR3CNR1CNR2KDM4E
SCHEMBL7219828 0.80 TP53 (0.46) ALDH1A1HCAR3CNR2KDM4EGAA
SCHEMBL3161296 0.79 L3MBTL1 (0.45) ALDH1A1EPHX2BRD4BRD2BRD3
SCHEMBL4185885 0.79 EPHX2 (0.60) ALDH1A1EPHX2BRD4BRD2BRD3
SCHEMBL4251833 0.77 BRD4 (0.42) ALDH1A1EPHX2BRD4BRD2BRD3
SCHEMBL23701221 0.77 LMNA (0.58) ALDH1A1EPHX2BRD4BRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 ALDH1A1 38/4885EPHX2 1205/4885BRD4 603/4885

“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.