SCHEMBL6840685

SCHEMBL6840685

COCc1nc(COC)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.44
KDM5A P29375 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 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
GABRB3 P28472 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
SCHEMBL29746408 0.77 GABRP (0.58) HCAR2LMNATP53NPC1RAB9A
SCHEMBL124055 0.76 AGBL2 (0.38) HCAR2KDM5AKDM5BNPC1RAB9A
SCHEMBL125294 0.76 HCAR2 (0.36) HCAR2KDM5AKDM5BLMNATP53
SCHEMBL30615509 0.75 KDM4E (0.42) HCAR2KDM5AKDM5BTP53KDM4E
SCHEMBL21464132 0.75 KDM4E (0.42) HCAR2KDM5AKDM5BTP53KDM4E
SCHEMBL9869357 0.75 POLB (0.42) HCAR2KDM5AKDM5BLMNATP53
SCHEMBL4184727 0.74 GABRP (0.47) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL973466 0.74 SYK (0.37) HCAR2KDM5AKDM5B
SCHEMBL14900060 0.73 TDP1 (0.46) HCAR2KDM5AKDM5BLMNATP53
SCHEMBL20524643 0.73 HCAR2 (0.46) HCAR2KDM5AKDM5BLMNATP53

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 HCAR2 3609/4885KDM5A 3220/4885KDM5B 3136/4885
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT HCAR2 3445/4885KDM5A 3199/4885KDM5B 2986/4885

“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.