SCHEMBL13492005

SCHEMBL13492005

CCc1cc2cccc(C(=O)O)c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.54
KEAP1 Q14145 1/20 0.47
KDM5B Q9UGL1 7/20 0.43
KDM5A P29375 5/20 0.43
DAO P14920 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PIM1 P11309 1/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
KDM4C Q9H3R0 3/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM4A O75164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN1 P18031 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL27285942 0.85 KDM5A (0.49) DHODHKEAP1KDM5BKDM5AMTNR1A
SCHEMBL7414885 0.83 MTNR1A (0.46) DAOKDM4EMAPTPIM1NR4A2
SCHEMBL10990305 0.83 KDM5A (0.47) DHODHKDM5BKDM5APARP1
SCHEMBL10982575 0.83 KDM5A (0.47) DHODHKDM5BKDM5APARP1
SCHEMBL10981682 0.83 KDM5A (0.47) DHODHKDM5BKDM5APARP1
SCHEMBL7648523 0.81 KDM5B (0.60) DHODHKEAP1KDM5BKDM5AKDM4E
SCHEMBL2078975 0.78 DHODH (0.58) DHODHKEAP1DAOKDM4EMAPT
SCHEMBL7428568 0.78 KDM4E (0.52) DHODHKEAP1KDM5BKDM5AKDM4E
SCHEMBL5185975 0.76 ALDH1A1 (0.39) DHODHKDM5BKDM5AKDM4EKDM4C
SCHEMBL11035155 0.76 HSD17B10 (0.62) DHODHKEAP1DAOKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
CN-101076531-A Carboxylic acid peri-substituted bicyclics for occlusive artery disease DECODE CHEMISTRY INC (US) 2007-11-21 CN 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-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 DHODH 3559/4885KEAP1 1899/4885KDM5B 3126/4885

“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.