SCHEMBL88994

SCHEMBL88994

CCc1cc(C(=O)O)cc(OCCCOC)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.40
FFAR4 Q5NUL3 2/20 0.36
PLA2G4B P0C869 1/20 0.36
HCAR3 P49019 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8235390 0.87 PLA2G2A (0.55) PLA2G2APLA2G4BALDH1A1TP53TSHR
SCHEMBL89628 0.85 KDM4E (0.50) PLA2G2AFFAR4HCAR3KDM4EALDH1A1
SCHEMBL20749484 0.82 KDM4E (0.53) KDM4EALDH1A1MEN1NPC1RAB9A
SCHEMBL3216400 0.81 TAS1R3 (0.39) PLA2G2AFFAR4HCAR3KDM4EALDH1A1
SCHEMBL88767 0.79 ALDH1A1 (0.33) KDM4EALDH1A1MAPTTSHRMEN1
SCHEMBL89635 0.78 CBFB (0.33) KDM4EALDH1A1MAPTTSHRMEN1
SCHEMBL8235386 0.77 ALDH1A1 (0.45) PLA2G2AHCAR3KDM4EALDH1A1MAPT
SCHEMBL1424790 0.76 ALOX15 (0.48) PLA2G2AKDM4EALDH1A1MAPTTP53
SCHEMBL13490849 0.75 KDM4C (0.49) PLA2G4BHCAR3KDM4EALDH1A1MAPT
SCHEMBL15087930 0.75 MEN1 (0.30) ALDH1A1MAPTTSHRMEN1KMT2A

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 5 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

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 PLA2G2A 3728/4885FFAR4 3058/4885PLA2G4B 2525/4885

“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.