SCHEMBL6306274

SCHEMBL6306274

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GPR35 Q9HC97 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SRC P12931 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
NOTUM Q6P988 1/20 0.34
AKR1C2 P52895 1/20 0.33

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
SCHEMBL6838455 0.90 ALDH1A1 (0.42) TPMTALDH1A1GPR35HTTTSHR
SCHEMBL5481803 0.83 ALDH1A1 (0.47) TPMTALDH1A1MAPTLMNAKDM4E
SCHEMBL8525339 0.81 AKR1C4 (0.45) TPMTALDH1A1GPR35TSHRKMT2A
SCHEMBL6806673 0.79 KDM4E (0.42) TPMTALDH1A1MAPTKMT2ALMNA
SCHEMBL21269842 0.77 KDM4E (0.41) TPMTALDH1A1MAPTLMNAKDM4E
SCHEMBL21268965 0.77 KDM4E (0.41) TPMTALDH1A1MAPTLMNAKDM4E
SCHEMBL21269629 0.77 KDM4E (0.41) TPMTALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL7950440 0.77 GRM2 (0.36) KMT2AMEN1SRCHCAR1HPGD
SCHEMBL7486568 0.77 MAPK1 (0.43) ALDH1A1GPR35HTTTSHRMAPT
SCHEMBL31458693 0.76 MYC (0.40) TPMTALDH1A1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050164885-A1 Alkyl dihalogenated phenyl-substituted ketoenols useful as pesticides and herbicides BAYER AG (DE) 2005-07-28 US disclosed
US-6858741-B2 Alkyl-dihalogenated phenyl-substituted ketoenols useful as pesticides and herbicides BAYER AKTIENGESELLSCHAFT (DE) 2005-02-22 US disclosed
US-20030199572-A1 Alkyl-dihalogenophenyl-substituted ketoenols LIEB FOLKER (DE) 2003-10-23 US disclosed
EP-0825982-B1 ALKYL DIHALOGENATED PHENYL-SUBSTITUTED KETOENOLS USEFUL AS PESTICIDES AND HERBICIDES BAYER CROPSCIENCE AG (DE) 2002-11-27 EP disclosed
US-6380246-B1 FOR COMBATING PESTS AND WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2002-04-30 US disclosed
US-6316486-B1 FOR COMBATING PESTS AND WEED BAYER AKTIENGESELLSCHAFT (DE) 2001-11-13 US disclosed
EP-0825982-A1 ALKYL DIHALOGENATED PHENYL-SUBSTITUTED KETOENOLS USEFUL AS PESTICIDES AND HERBICIDES BAYER AG (DE) 1998-03-04 EP disclosed
WO-1996035664-A1 ALKYL DIHALOGENATED PHENYL-SUBSTITUTED KETOENOLS USEFUL AS PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-14 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-20050164885-A1 Alkyl dihalogenated phenyl-substituted ketoenols useful as pesticides and herbicides DDT, CYP8B1, PAOX TPMT 4141/4885ALDH1A1 938/4885GPR35 2401/4885
US-20030199572-A1 Alkyl-dihalogenophenyl-substituted ketoenols CYP2E1, CYP8B1, CYP24A1 TPMT 4350/4885ALDH1A1 497/4885GPR35 2147/4885

“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.