SCHEMBL6041430

SCHEMBL6041430

O=C(O)N1CCC(c2ccc(OCCC=Cc3ccccc3)cc2)C(O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.43
PPARD Q03181 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 1/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM1A O60341 2/20 0.39
MAPK1 P28482 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
TEAD1 P28347 1/20 0.38
TEAD3 Q99594 1/20 0.38
NAAA Q02083 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6041426 1.00 PPARA (0.43) PPARAPPARDHRH3S1PR1S1PR3
SCHEMBL6042220 0.90 PPARA (0.41) PPARAPPARDHRH3S1PR1LMNA
SCHEMBL6042226 0.90 PPARA (0.41) PPARAPPARDHRH3S1PR1LMNA
SCHEMBL6043844 0.86 MEN1 (0.45) S1PR1MEN1KMT2AKDM1ATEAD1
SCHEMBL6041843 0.85 RAB9A (0.45) HRH3S1PR1LMNAMEN1KMT2A
SCHEMBL3193386 0.85 RAB9A (0.45) S1PR1LMNAMEN1KMT2AKDM1A
SCHEMBL6041582 0.83 MEN1 (0.42) MEN1KMT2AKDM1ATEAD1TEAD3
SCHEMBL6043319 0.83 MEN1 (0.42) MEN1KMT2AKDM1ATEAD1TEAD3
SCHEMBL6041579 0.83 MEN1 (0.42) MEN1KMT2AKDM1ATEAD1TEAD3
SCHEMBL6042975 0.81 S1PR1 (0.53) S1PR1S1PR3LMNAKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 PPARA 1956/4885PPARD 2835/4885HRH3 404/4885

“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.