SCHEMBL6838455

SCHEMBL6838455

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
TPMT P51580 1/20 0.35
GPR35 Q9HC97 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
CA12 O43570 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
SCHEMBL6306274 0.90 TPMT (0.39) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL6806673 0.87 KDM4E (0.42) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL21269842 0.85 KDM4E (0.41) ALDH1A1MAPTLMNAKDM4EL3MBTL1
SCHEMBL21268965 0.85 KDM4E (0.41) ALDH1A1MAPTLMNAKDM4EL3MBTL1
SCHEMBL21269629 0.85 KDM4E (0.41) ALDH1A1LMNAKDM4EL3MBTL1HPGD
SCHEMBL6834732 0.79 HTT (0.42) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL6839567 0.78 ALDH1A1 (0.37) ALDH1A1HTTKMT2AKDM4EMEN1
SCHEMBL5481803 0.78 ALDH1A1 (0.47) ALDH1A1MAPTLMNAKDM4ETPMT
SCHEMBL28016266 0.78 KDM4E (0.38) ALDH1A1LMNAKDM4EL3MBTL1HPGD
SCHEMBL6838447 0.75 ALDH1A1 (0.36) ALDH1A1MAPTKMT2AKDM4EMEN1

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 ALDH1A1 566/4885TSHR 1710/4885HTT 852/4885
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols DDT, CYP2E1, CYP8B1 ALDH1A1 549/4885TSHR 1183/4885HTT 1731/4885

“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.