SCHEMBL17536325

SCHEMBL17536325

CC1(C)OB(c2ccc3c(c2)CCC(NC(=O)O)C3)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
ACHE P22303 6/20 0.44
MTNR1A P48039 6/20 0.42
MTNR1B P49286 6/20 0.42
USP30 Q70CQ3 1/20 0.37
ROCK1 Q13464 1/20 0.36
HIF1A Q16665 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
LPL P06858 1/20 0.35
P4HB P07237 1/20 0.34
F2 P00734 1/20 0.34
F11 P03951 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL2556943 0.90 CA1 (0.39) CA1CA2USP30ROCK1HIF1A
SCHEMBL17549534 0.85 USP30 (0.44) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL4938767 0.85 USP30 (0.44) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL17549530 0.83 CA1 (0.55) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL16252315 0.81 FAAH (0.40) CA1CA2ACHEUSP30ROCK1
SCHEMBL20722767 0.80 MTNR1A (0.43) MTNR1AROCK1HIF1A
SCHEMBL20722763 0.80 MTNR1A (0.43) MTNR1AROCK1HIF1A
SCHEMBL16505149 0.80 HIF1A (0.38) CA1CA2ACHEROCK1HIF1A
SCHEMBL23364986 0.79 ROCK1 (0.38) USP30ROCK1HIF1AF2F11
SCHEMBL19585777 0.78 CYP1A2 (0.43) CA1CA2ROCK1HIF1ALIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3185685-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2017-07-05 EP disclosed
US-9469617-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2016-10-18 US disclosed
US-20160060233-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-03-03 US disclosed
WO-2016033025-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-03-03 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-20160060233-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CA1 2314/4885CA2 377/4885ACHE 1/4885

“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.