SCHEMBL6834772

SCHEMBL6834772

COC(=O)C(Cl)c1ccc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
TAS1R2 Q8TE23 3/20 0.41
HPGD P15428 1/20 0.40
USP2 O75604 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 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
SCHEMBL1814210 0.85 ACHE (0.46) SMN1; SMN2TAS1R3TAS1R1MEN1KMT2A
SCHEMBL6314940 0.85 LMNA (0.47) HTTALDH1A1MEN1KMT2A
SCHEMBL924220 0.83 TAS1R3 (0.40) SMN1; SMN2TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL8960117 0.82 SMN1; SMN2 (0.45) SMN1; SMN2TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL4060612 0.82 SMN1; SMN2 (0.45) SMN1; SMN2TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL8960120 0.82 SMN1; SMN2 (0.45) SMN1; SMN2TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL29273914 0.81 SMN1; SMN2 (0.44) SMN1; SMN2TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL510476 0.80 MEN1 (0.42) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL6841351 0.80 TDP1 (0.39) SMN1; SMN2TAS1R3TAS1R1TAS1R2HTT
SCHEMBL6064118 0.80 TDP1 (0.39) SMN1; SMN2TAS1R3TAS1R1TAS1R2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759548-B2 PESTICIDES AND HERBICIDES. PHENYL-SUBSTITUTED CYCLIC KETOENOLS, A PLURALITY OF PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION BAYER AKTIENGESELLSCHAFT (DE) 2004-07-06 US disclosed
US-20030144504-A1 Pesticides and herbicides. phenyl-substituted cyclic ketoenols, a plurality of processes and intermediates for their preparation FISCHER REINER (DE) 2003-07-31 US disclosed
US-6469196-B2 PESTICIDES AND WEEDKILLERS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-22 US disclosed
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols FISCHER REINER (DE) 2002-02-21 US disclosed
US-6251830-B1 PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-26 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-20030144504-A1 Pesticides and herbicides. phenyl-substituted cyclic ketoenols, a plurality of processes and intermediates for their preparation DDT, CYP8B1, CYP1A1 SMN1; SMN2 4665/4885TAS1R3 4496/4885TAS1R1 4328/4885
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols DDT, CYP2E1, CYP8B1 SMN1; SMN2 4638/4885TAS1R3 4641/4885TAS1R1 4562/4885

“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.