SCHEMBL6841350

SCHEMBL6841350

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 4/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 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
SCHEMBL37165 0.88 KDM4E (0.40) TSHRALDH1A1MAPTL3MBTL1HTT
SCHEMBL918915 0.85 P2RX7 (0.43) KDM4EEPHX2
SCHEMBL510475 0.85 MAPT (0.50) TSHRALDH1A1MAPTL3MBTL1HTT
SCHEMBL6834766 0.80 TSHR (0.45) TSHRALDH1A1MAPTL3MBTL1HTT
SCHEMBL1814554 0.79 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1POLBHPGD
SCHEMBL37414 0.78 P2RX7 (0.35) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL3420493 0.76 ALDH1A1 (0.37) ALDH1A1MAPTPOLBHPGDKMT2A
SCHEMBL14834234 0.75 POLB (0.33) TSHRALDH1A1MAPTPOLBKMT2A
SCHEMBL22085106 0.74 TSHR (0.42) TSHRALDH1A1MAPTL3MBTL1HTT
SCHEMBL6839533 0.74 NLRP3 (0.51) TSHRALDH1A1MAPTPOLBHPGD

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 TSHR 1710/4885ALDH1A1 566/4885MAPT 4708/4885
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols DDT, CYP2E1, CYP8B1 TSHR 1183/4885ALDH1A1 549/4885MAPT 4878/4885

“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.