SCHEMBL6838901

SCHEMBL6838901

Cc1cc(C)c(C(=O)C(=C=O)C(=O)Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 3/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.30
TAS1R1 Q7RTX1 2/20 0.30
TAS1R2 Q8TE23 2/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL7918128 0.90 EGFR (0.36) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL6838898 0.80 HTT (0.38) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL18033973 0.75 HTT (0.44) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL7479979 0.74 HTT (0.34) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL7811949 0.72 TAS1R3 (0.35) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL9737304 0.71 ALDH1A1 (0.52) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL4639714 0.70 POLB (0.53) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL7270831 0.68 ALDH1A1 (0.52) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL22754120 0.67 CYP3A4 (0.50) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL6308979 0.67 KMT2A (0.38) HTTTSHRALDH1A1MAPTKMT2A

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-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
US-5994274-A Dialkyl phenyl halide-substituted keto-enols for use as herbicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1999-11-30 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 HTT 852/4885TSHR 1710/4885ALDH1A1 566/4885
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols DDT, CYP2E1, CYP8B1 HTT 1731/4885TSHR 1183/4885ALDH1A1 549/4885

“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.