SCHEMBL6829396

SCHEMBL6829396

COC(=O)Cc1c(C)cc(C)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
HSD17B10 Q99714 8/20 0.50
NPC1 O15118 6/20 0.50
CASP1 P29466 3/20 0.50
TSHR P16473 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 6/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
TP53 P04637 3/20 0.43
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL769278 0.83 GAA (0.48) MAPTHSD17B10NPC1CASP1NPSR1
SCHEMBL509922 0.82 MAPT (0.46) MAPTHSD17B10NPC1CASP1TSHR
SCHEMBL6829455 0.79 HSP90AB1 (0.41) MAPTHSD17B10NPC1CASP1TSHR
SCHEMBL6834789 0.76 KDM4E (0.43) MAPTHSD17B10NPC1CASP1NPSR1
SCHEMBL6921814 0.76 ALDH1A1 (0.45) MAPTHSD17B10CASP1NPSR1KMT2A
SCHEMBL6834766 0.76 TSHR (0.45) MAPTHSD17B10CASP1TSHRNPSR1
SCHEMBL1224633 0.76 KDM4E (0.43) MAPTHSD17B10NPC1CASP1TSHR
SCHEMBL14661541 0.74 P2RX7 (0.44) MAPTHSD17B10NPC1TSHRNPSR1
SCHEMBL28089217 0.73 MAPT (0.34) MAPTHSD17B10NPC1CASP1TSHR
SCHEMBL6832152 0.73 GPR35 (0.38) MAPTHSD17B10NPC1CASP1TSHR

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 MAPT 4613/4885HSD17B10 246/4885NPC1 4023/4885

“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.