SCHEMBL18358787

SCHEMBL18358787

CC(C)(C)c1ccc(C(F)(F)F)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.45
KIF11 P52732 2/20 0.40
PDE2A O00408 1/20 0.39
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL13945796 0.86 KIF11 (0.44) ARKIF11
SCHEMBL1996176 0.86 AR (0.53) ARKIF11SLC22A12
SCHEMBL11911379 0.85 AR (0.57) AR
SCHEMBL16958023 0.81 KIF11 (0.40) ARKIF11PDE2A
SCHEMBL29546917 0.78 AR (0.52) ARKIF11
SCHEMBL12151755 0.78 AR (0.52) ARKIF11
SCHEMBL4235811 0.77 TSHR (0.43) ARKIF11
SCHEMBL29557245 0.77 TSHR (0.43) ARKIF11
SCHEMBL7817776 0.77 AR (0.43) ARKIF11
SCHEMBL13487588 0.77 AR (0.39) ARSLC22A12

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
US-20230026696-A1 TRPV4 RECEPTOR LIGANDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-01-26 US disclosed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 US disclosed
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 US disclosed
US-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 US disclosed
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 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 (6 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-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 AR 1179/4885KIF11 4047/4885PDE2A 883/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP AR 2582/4885KIF11 3359/4885PDE2A 1075/4885
US-20170001983-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 AR 1179/4885KIF11 4047/4885PDE2A 883/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 AR 1179/4885KIF11 4047/4885PDE2A 883/4885
US-20230026696-A1 TRPV4 RECEPTOR LIGANDS TRPV4, TRPV2, TRPV3 AR 971/4885KIF11 3004/4885PDE2A 1875/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP AR 2582/4885KIF11 3359/4885PDE2A 1075/4885

“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.