SCHEMBL948062

SCHEMBL948062

CC(O)(CSc1ccc2cc(Cl)ccc2c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARD Q03181 5/20 0.36
CCR9 P51686 3/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2A6 P11509 1/20 0.34
ANPEP P15144 1/20 0.34

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
SCHEMBL948237 1.00 PPARA (0.37) PPARACYP2C19MAPTMEN1CYP1A2
SCHEMBL947918 1.00 PPARA (0.37) PPARACYP2C19MAPTMEN1CYP1A2
SCHEMBL948006 0.85 KMT2A (0.37) MAPTMEN1KMT2AHSD17B10LMNA
SCHEMBL950417 0.77 IDO1 (0.39) PPARAMAPTMEN1KMT2APPARD
SCHEMBL6915551 0.74 FFAR1 (0.48) CYP2C19MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3811027 0.73 ALDH1A1 (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL17381237 0.73 ALDH1A1 (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7016534 0.72 TP53 (0.46) CYP2C19MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL949434 0.72 KMO (0.44) CYP2C19CYP2C9HSD17B10CYP2A6ANPEP
SCHEMBL949305 0.72 KMO (0.44) CYP2C19CYP2C9HSD17B10CYP2A6ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 PPARA 1902/4885CYP2C19 25/4885MAPT 4771/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 PPARA 2010/4885CYP2C19 22/4885MAPT 4800/4885

“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.