SCHEMBL6730092

SCHEMBL6730092

COC(=O)c1c(OCc2ccccc2)cc(C(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
PPARG P37231 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MRGPRX4 Q96LA9 4/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
SYK P43405 1/20 0.42
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PPIA P62937 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL10363103 0.89 KMT2A (0.44) LMNAHPGDPPARGKDM4EALDH1A1
SCHEMBL19865232 0.82 PPIA (0.44) LMNAHPGDMRGPRX4EGFRERBB2
SCHEMBL10363011 0.80 KDM4E (0.41) LMNAHPGDKDM4EALDH1A1POLB
SCHEMBL10696730 0.79 KDM4E (0.48) LMNAHPGDKDM4EALDH1A1POLB
SCHEMBL6730105 0.78 KDM4E (0.43) LMNAHPGDKDM4EALDH1A1POLB
SCHEMBL427348 0.77 MRGPRX4 (0.50) LMNAHPGDMRGPRX4SMPD1HDAC1
SCHEMBL14967051 0.76 RAB9A (0.49) HPGDPPARGKDM4EALDH1A1SYK
SCHEMBL21957654 0.76 HPGD (0.54) LMNAHPGDKDM4EALDH1A1POLB
SCHEMBL10364788 0.75 KDM4E (0.38) LMNAKDM4EALDH1A1POLBRXRA
SCHEMBL9724299 0.74 HPGD (0.56) LMNAHPGDKDM4EALDH1A1EGFR

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 4 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

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 LMNA 3049/4885HPGD 2470/4885PPARG 3394/4885
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT LMNA 2873/4885HPGD 2389/4885PPARG 3128/4885

“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.