SCHEMBL5847233

SCHEMBL5847233

[O]c1cccc(OC(F)(F)F)c1OCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
SLC6A4 P31645 1/20 0.45
DAO P14920 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 1/20 0.44
ADAM17 P78536 1/20 0.44
USP28 Q96RU2 1/20 0.44
USP25 Q9UHP3 1/20 0.44
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL6766193 0.86 RXRA (0.47) MRGPRX4SLC6A4MMP2MMP9MMP14
SCHEMBL3375496 0.76 MRGPRX4 (0.62) MAOBMRGPRX4SLC6A4MMP2MMP9
SCHEMBL8408318 0.74 MRGPRX4 (0.47) MAOBMRGPRX4SLC6A4MMP2MMP9
SCHEMBL2094184 0.74 KDM4E (0.38)
SCHEMBL13463063 0.74 MAOB (0.58) MAOBMRGPRX4SLC6A4MMP2MMP9
SCHEMBL5839465 0.74 MRGPRX4 (0.56) MRGPRX4MMP2MMP9MMP14ADAM17
SCHEMBL18001860 0.73 CHRM2 (0.45) MAOBMRGPRX4SLC6A4DAOMMP2
SCHEMBL7588692 0.72 SLC6A2 (0.43) MRGPRX4SLC6A4MMP2MMP9MMP14
SCHEMBL4280685 0.72 MRGPRX4 (0.60) MRGPRX4MMP2MMP9MMP14ADAM17
SCHEMBL697626 0.71 MRGPRX4 (0.53) MAOBMRGPRX4SLC6A4DAOMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122536-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2006-10-17 US claimed
US-20050043294-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC 2005-02-24 US claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
EP-1115694-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
EP-1589000-A2 (R)-Chiral halogenated 1-substitutedamino-(N+1)-alkanols useful for inhibiting cholesteryl ester transfer protein activity Monsanto Company (US) 2005-10-26 EP disclosed
EP-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP disclosed
EP-1115694-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP disclosed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO disclosed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 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-20050043294-A1 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity CETP, DBI, MTTP MAOB 3381/4885MRGPRX4 3400/4885SLC6A4 2276/4885

“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.