SCHEMBL10238185

SCHEMBL10238185

CCOC(=O)/C=C/OC1=C(c2nc(-c3ccc(Cl)cc3)sc2CC)C(=O)[C@H]2CC[C@@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 2/20 0.42
▸ MAPT P10636 2/20 0.38
▸ PTGDR2 Q9Y5Y4 5/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTPN11 Q06124 1/20 0.34
▸ CDC7 O00311 1/20 0.33
▸ DBF4 Q9UBU7 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL10238180 0.81 PTGDR2 (0.39) TRPM8MAPTPTGDR2KDM4EALDH1A1
SCHEMBL609497 0.80 PTGDR2 (0.39) TRPM8MAPTPTGDR2KDM4EALDH1A1
SCHEMBL10238226 0.76 GLA (0.37) TRPM8MAPTPTGDR2KDM4EALDH1A1
SCHEMBL10238200 0.74 PTGDR2 (0.33) MAPTPTGDR2KDM4EALDH1A1CYP1A2
SCHEMBL10238212 0.70 MAPT (0.41) TRPM8MAPTKDM4EALDH1A1CYP1A2
SCHEMBL3254228 0.67 PTGDR2 (0.38) TRPM8MAPTPTGDR2KDM4EALDH1A1
SCHEMBL13058559 0.67 PTGDR2 (0.38) TRPM8MAPTPTGDR2KDM4EALDH1A1
SCHEMBL13058564 0.67 PTGDR2 (0.38) TRPM8MAPTPTGDR2KDM4EALDH1A1
SCHEMBL13058563 0.67 PTGDR2 (0.37) TRPM8MAPTPTGDR2KDM4EALDH1A1
SCHEMBL10237937 0.65 HRH3 (0.41) TRPM8MAPTPTGDR2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 — — EP disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — US disclosed
WO-2009015877-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-05 — — WO 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-20120040826-A1 NOVEL HERBICIDES DDT, HDHD5, DDC TRPM8 2302/4885MAPT 3907/4885PTGDR2 2242/4885

“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.

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