SCHEMBL2106490

SCHEMBL2106490

Cc1[c]c(C)c(-c2cccc(F)c2)c(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
CYP11B2 P19099 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
ACHE P22303 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
ESR2 Q92731 1/20 0.30
PTPN1 P18031 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 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
SCHEMBL2104340 0.85
SCHEMBL1950940 0.83 FNTA (0.37) TGFBR1
SCHEMBL2105845 0.82
SCHEMBL2105230 0.81 MEN1 (0.38) MGAMGAASIMGAM2ACHE
SCHEMBL2103791 0.81 AR (0.31)
SCHEMBL2107562 0.80 CYP2A6 (0.34) CYP11B2
SCHEMBL2107448 0.79 CHUK (0.34)
SCHEMBL2104577 0.79
SCHEMBL2105436 0.79
SCHEMBL2105506 0.78 PTGS2 (0.33)

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-8163804-B2 Composition for preventing harmful organisms MITSUI CHEMICALS, INC. (JP) 2012-04-24 US disclosed
US-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS MITSUI CHEMICALS, INC (JP) 2009-06-25 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-20090162453-A1 COMPOSITION FOR PREVENTING HARMFUL ORGANISMS PRDX3, CYP1A1, GSTA1 TGFBR1 1714/4885TNKS2 4606/4885CYP11B2 235/4885

“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.