SCHEMBL6734508

SCHEMBL6734508

COC(=O)/C(C(C)=O)=C(\N)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP2C9 P11712 1/20 0.34
DNMT1 P26358 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL6734509 1.00 ALDH1A1 (0.37) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL6732281 0.79 GLO1 (0.41) ALDH1A1MAPTMEN1KMT2A
SCHEMBL6732284 0.79 GLO1 (0.41) ALDH1A1MAPTMEN1KMT2A
SCHEMBL7617413 0.76 MAPT (0.40) ALDH1A1MAPTMEN1KMT2ACYP2C9
SCHEMBL6646404 0.76 MAPT (0.40) ALDH1A1MAPTMEN1KMT2ACYP2C9
SCHEMBL20043784 0.74 MAPT (0.47) ALDH1A1MAPTMEN1KMT2ACYP2C9
SCHEMBL11549074 0.69 ALDH1A1 (0.46) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL2233968 0.69 ALDH1A1 (0.46) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL11979152 0.67 ALDH1A1 (0.43) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL3269694 0.67 ALDH1A1 (0.43) ALDH1A1MAPTPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity LEE LEN F (US) 2004-11-04 US disclosed
US-6794396-B2 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity PHARMACIA CORPORATION 2004-09-21 US disclosed
US-20040038939-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity PHARMACIA CORPORATION 2004-02-26 US disclosed
US-6605624-B1 Preventing and/or treating atherosclerosis and other coronary artery diseases PHARMACIA CORPORATION 2003-08-12 US disclosed
EP-0181852-B1 SUBSTITUTED 2,6-SUBSTITUTED PYRIDINE COMPOUNDS Monsanto Company (US) 1990-08-29 EP disclosed
US-4789395-A POST- AND PRE-EMERGENT MONSANTO COMPANY (US) 1988-12-06 US disclosed
EP-0258201-A1 5-Sulfur substituted pyridine monocarboxylic herbicides Monsanto Company (US) 1988-03-02 EP disclosed
US-4655816-A PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1987-04-07 US disclosed
EP-0181852-A1 Substituted 2,6-substituted pyridine compounds Monsanto Company (US) 1986-05-21 EP 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-20040038939-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, CES1, MTTP ALDH1A1 1154/4885MAPT 3616/4885POLB 4641/4885
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT ALDH1A1 1364/4885MAPT 3344/4885POLB 4631/4885

“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.