SCHEMBL6829398

SCHEMBL6829398

COC(=O)C(C#N)c1ccc(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL509923 0.82 MEN1 (0.39) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL3201307 0.82 KMT2A (0.36) SMN1; SMN2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL8319298 0.81 KMT2A (0.35) SMN1; SMN2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL16466618 0.81 KMT2A (0.44) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL8319291 0.81 KMT2A (0.35) SMN1; SMN2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL8960117 0.78 SMN1; SMN2 (0.45) SMN1; SMN2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL8960120 0.78 SMN1; SMN2 (0.45) SMN1; SMN2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL4060612 0.78 SMN1; SMN2 (0.45) SMN1; SMN2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL29273914 0.77 SMN1; SMN2 (0.44) SMN1; SMN2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL11225211 0.76 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6746990-B2 INSECTICIDES, ACARICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-06-08 US disclosed
US-20030045432-A1 Phenyl-substituted cyclic ketoenols FISCHER REINER (DE) 2003-03-06 US disclosed
US-6358887-B1 PREEMERGENCE, POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-19 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-20030045432-A1 Phenyl-substituted cyclic ketoenols CYP19A1, DDT, CYP8B1 SMN1; SMN2 4652/4885TAS1R3 4567/4885TAS1R1 4372/4885

“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.