SCHEMBL6004036

SCHEMBL6004036

CC(=O)c1conc1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.45
PTPN1 P18031 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
GABRA5 P31644 7/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 3/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
CDH1 P12830 1/20 0.39
APC P25054 1/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2929499 0.85 CDH1 (0.46) GPBAR1PTPN1FFAR4ALDH1A1SMN1; SMN2
SCHEMBL4762391 0.83 GABRA5 (0.42) GPBAR1PTPN1FFAR4GABRA5POLB
SCHEMBL2468990 0.83 PTGS2 (0.45) GPBAR1GABRA5ALDH1A1SMN1; SMN2KDM4E
SCHEMBL25458022 0.83 GABRA5 (0.46) GPBAR1PTPN1FFAR4GABRA5
SCHEMBL25562790 0.83 GPBAR1 (0.42) GPBAR1PTPN1FFAR4GABRA5CDH1
SCHEMBL27946184 0.83 SLC6A3 (0.51) GPBAR1PTPN1GABRA5ALDH1A1SMN1; SMN2
SCHEMBL2929533 0.79 SMN1; SMN2 (0.52) FFAR4ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL22143653 0.73 CYP19A1 (0.54) GPBAR1PTPN1FFAR4GABRA5SMN1; SMN2
SCHEMBL10519102 0.72 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL402939 0.71 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 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 (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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 GPBAR1 2708/4885PTPN1 255/4885FFAR4 3706/4885

“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.