SCHEMBL6832687

SCHEMBL6832687

Cc1ccc(C(C=O)OC(F)F)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.33
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CASR P41180 1/20 0.30

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
SCHEMBL6829514 0.72 SRC (0.38) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL10357809 0.72 TDP1 (0.34) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL27766137 0.71 TRPA1 (0.41) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL10153785 0.69 TDP1 (0.42) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL3413433 0.69 TDP1 (0.35) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL24771915 0.68 TRPA1 (0.45) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL8750365 0.66 TRPA1 (0.43) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL27626733 0.66 SRC (0.35) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL2235269 0.65 TDP1 (0.46) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL24932823 0.65 RAPGEF4 (0.36) SRCTRPA1LMNACHRM1SLC6A2

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-6746990-B2 INSECTICIDES, ACARICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-06-08 US disclosed
US-20030045432-A1 Phenyl-substituted cyclic ketoenols FISCHER REINER (DE) 2003-03-06 US disclosed
US-6358887-B1 PREEMERGENCE, POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-19 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-20030045432-A1 Phenyl-substituted cyclic ketoenols CYP19A1, DDT, CYP8B1 SRC 1894/4885TRPA1 2669/4885LMNA 2837/4885

“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.