SCHEMBL6733600

SCHEMBL6733600

CCOC(=O)c1c(C(F)(F)F)nc(C(F)(F)F)c(C)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PDE4D Q08499 1/20 0.38
RORC P51449 1/20 0.38
ATF1 P18846 1/20 0.38
NFKB1 P19838 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 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
SCHEMBL10373408 0.92 KDM4E (0.48) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL10373414 0.87 KDM4E (0.44) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL9726366 0.85 KDM4E (0.50) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL10364664 0.83 KDM4E (0.46) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL10579708 0.81 KDM4E (0.42) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL10370033 0.81 KDM4E (0.49) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL10364719 0.81 KDM4E (0.50) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL10371885 0.80 KDM4E (0.41) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL10370830 0.80 KDM4E (0.55) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL9726378 0.80 KDM4E (0.48) KDM4EPOLBMAPTKMT2AALDH1A1

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 7 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-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 KDM4E 1991/4885POLB 4641/4885MAPT 3616/4885
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT KDM4E 1743/4885POLB 4631/4885MAPT 3344/4885

“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.