SCHEMBL23059552

SCHEMBL23059552

CC(CCCC(C)c1cccc(C#N)c1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.51
CYP19A1 P11511 1/20 0.48
VNN1 O95497 2/20 0.47
KCNH2 Q12809 2/20 0.46
CHRNB2 P17787 2/20 0.40
CHRNA5 P30532 2/20 0.40
CHRNA4 P43681 2/20 0.40
MGLL Q99685 1/20 0.39
CYP11B2 P19099 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
ALPL P05186 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 1/20 0.38
LRRK2 Q5S007 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 3/20 0.37
HSD17B10 Q99714 3/20 0.37

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
SCHEMBL20371531 0.94 KCNA5 (0.53) KCNA5CYP19A1VNN1KCNH2CHRNB2
SCHEMBL18595840 0.94 KCNA5 (0.53) KCNA5CYP19A1VNN1KCNH2CHRNB2
SCHEMBL18595855 0.81 CYP19A1 (0.54) KCNA5CYP19A1VNN1KCNH2CHRNB2
SCHEMBL22432045 0.80 CNR1 (0.46) CNR1CNR2
SCHEMBL25086538 0.77 CNR1 (0.45) CNR1CNR2HSD17B10TSHR
SCHEMBL18970401 0.76 S1PR1 (0.45) CNR1CNR2
SCHEMBL5545605 0.76 CNR1 (0.43) CNR1CNR2
SCHEMBL14468209 0.76 CNR1 (0.40) CNR1CNR2
SCHEMBL9197340 0.76 SMN1; SMN2 (0.57) KCNA5CYP19A1VNN1KCNH2CHRNB2
SCHEMBL28242040 0.76 CYP19A1 (0.54) KCNA5CYP19A1VNN1KCNH2CHRNB2

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-11766043-B2 Vaporized administration of pesticides AGROFRESH INC. (US) 2023-09-26 US disclosed
US-20210059254-A1 VAPORIZED ADMINISTRATION OF PESTICIDES ALTER DOMUS US LLC 2021-03-04 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 (2 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-20210059254-A1 VAPORIZED ADMINISTRATION OF PESTICIDES GPX4, CAT, PRDX2 KCNA5 2324/4885CYP19A1 2461/4885VNN1 53/4885
US-11766043-B2 Vaporized administration of pesticides GPX4, CAT, PRDX2 KCNA5 2324/4885CYP19A1 2461/4885VNN1 53/4885

“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.