SCHEMBL948236

SCHEMBL948236

CC(Sc1ccc2cc(Cl)ccc2c1)[C@H](O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PPARA Q07869 5/20 0.44
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
EPHX1 P07099 1/20 0.42
KMO O15229 3/20 0.38
TSHR P16473 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SDCBP O00560 1/20 0.37
SDC2 P34741 1/20 0.37
CYP2A6 P11509 1/20 0.36
TYMP P19971 1/20 0.35

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
SCHEMBL947917 1.00 CYP2C9 (0.45) CYP2C9CYP2C19HSD17B10PPARAAKR1C3
SCHEMBL950416 0.75 TRPA1 (0.45) PPARATSHRSDCBPSDC2
SCHEMBL5027835 0.74 LMNA (0.43) CYP2C9CYP2C19HSD17B10
SCHEMBL949305 0.74 KMO (0.44) CYP2C9CYP2C19HSD17B10AKR1C3AKR1C2
SCHEMBL949434 0.74 KMO (0.44) CYP2C9CYP2C19HSD17B10AKR1C3AKR1C2
SCHEMBL27670173 0.74 KMO (0.44) CYP2C9CYP2C19HSD17B10AKR1C3AKR1C2
Bicarbonate SCHEMBL29074426 0.71 CYP2A6 (0.59) CYP2C9KMOTSHRCYP2A6
SCHEMBL11472966 0.70 AKR1C3 (0.63) AKR1C3AKR1C2TSHR
Ammonia Solution, Strong SCHEMBL11726463 0.69 AKR1C3 (0.61) AKR1C3AKR1C2TSHR
SCHEMBL949028 0.69 ALOX15 (0.41) CYP2C9CYP2C19HSD17B10TSHR

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-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

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 CYP2C9 18/4885CYP2C19 25/4885HSD17B10 821/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 CYP2C9 17/4885CYP2C19 22/4885HSD17B10 888/4885

“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.