SCHEMBL951931

SCHEMBL951931

CC(C)(CC(=O)O)Sc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.41
MIF P14174 1/20 0.40
KMO O15229 3/20 0.37
PPARA Q07869 2/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
TSHR P16473 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
CCR9 P51686 2/20 0.35
AKR1B1 P15121 1/20 0.35
CYP2A6 P11509 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
SCHEMBL9382098 0.83 AKR1B1 (0.40) MIFLMNAGAAPTGDR2AKR1B1
SCHEMBL7302773 0.81 ALDH1A1 (0.45) MIFPPARALMNAGAASLC22A12
SCHEMBL727827 0.73 CA1 (0.43) LMNASLC22A12
SCHEMBL13950515 0.72 SMN1; SMN2 (0.41) TBXA2RLMNASLC22A12TSHRPTGDR2
SCHEMBL15681426 0.72 MEN1 (0.42)
SCHEMBL948062 0.72 PPARA (0.37) PPARALMNACCR9CYP2A6
SCHEMBL948237 0.72 PPARA (0.37) PPARALMNACCR9CYP2A6
SCHEMBL947918 0.72 PPARA (0.37) PPARALMNACCR9CYP2A6
SCHEMBL7016534 0.70 TP53 (0.46) KMOLMNA
Bicarbonate SCHEMBL29074426 0.70 CYP2A6 (0.59) KMOTSHRCYP2A6

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 TBXA2R 113/4885MIF 4180/4885KMO 74/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 TBXA2R 104/4885MIF 3269/4885KMO 123/4885

“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.