SCHEMBL6838898

SCHEMBL6838898

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 4/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 3/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL7479979 0.91 HTT (0.34) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL7811949 0.89 TAS1R3 (0.35) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL6308979 0.86 KMT2A (0.38) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL812041 0.82 AKR1C2 (0.44) KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL1821701 0.81 ALDH1A1 (0.36) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL6838601 0.80 ALDH1A1 (0.32) ALDH1A1KMT2AMEN1POLBKDM4E
SCHEMBL9883885 0.80 KDM4E (0.42) TSHRALDH1A1MAPTKMT2ALMNA
SCHEMBL6838901 0.80 HTT (0.36) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL18033973 0.77 HTT (0.44) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL3256843 0.75 ALDH1A1 (0.31) ALDH1A1POLBSMN1; SMN2MAPK1

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 9 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
EP-0835243-B1 DIALKYL PHENYL HALIDE-SUBSTITUTED KETO-ENOLS FOR USE AS HERBICIDES AND PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-29 EP 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
EP-0835243-A1 DIALKYL PHENYL HALIDE-SUBSTITUTED KETO-ENOLS FOR USE AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1998-04-15 EP disclosed
WO-1997002243-A1 DIALKYL PHENYL HALIDE-SUBSTITUTED KETO-ENOLS FOR USE AS HERBICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-23 WO 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.