SCHEMBL5410709

SCHEMBL5410709

Cc1nn(-c2cc(C(=O)O)c(Cl)cc2Cl)c(=O)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.39
PPOX P50336 1/20 0.39
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
MYC P01106 1/20 0.35
NR4A1 P22736 1/20 0.35
CTSB P07858 1/20 0.35
NOTUM Q6P988 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL5417601 0.82 PPOX (0.60) PPOX
SCHEMBL20390748 0.76 PPOX (0.39) PPOXMEN1KMT2ATDP1GAA
SCHEMBL4059426 0.72 PPOX (0.49) PPOX
SCHEMBL16487877 0.67 L3MBTL1 (0.37) L3MBTL1PPOXGAAMAPT
SCHEMBL20356681 0.66 NOTUM (0.36) TSHRALDH1A1L3MBTL1LMNAMEN1
SCHEMBL8551425 0.66 BRD9 (0.40) TSHRALDH1A1L3MBTL1LMNAMEN1
SCHEMBL24151268 0.66 NOTUM (0.38) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL29938165 0.66 NOTUM (0.38) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL69107 0.65 CA1 (0.59) TSHRALDH1A1HTTLMNAMEN1
SCHEMBL6696902 0.64 PPOX (0.47) PPOX

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181280-B1 SUBSTITUTED BENZOYL KETONES, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2004-12-01 EP claimed
JP-2002544198-A 2002-12-24 JP claimed
EP-1181280-A1 SUBSTITUTED BENZOYL KETONES, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-02-27 EP claimed
CN-1310714-A Substituted Benzoylcyclohexanediones BAYER AG (DE) 2001-08-29 CN claimed
EP-1100789-A1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER AG (DE) 2001-05-23 EP claimed
WO-2000068204-A1 SUBSTITUTED BENZOYL KETONES, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-16 WO claimed
WO-2000005221-A1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER AKTIENGESELLSCHAFT (DE) 2000-02-03 WO claimed
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 US disclosed
US-6924251-B1 Substituted benzoylcyclohexandiones BAYER AKTIENGESELLSCHAFT (DE) 2005-08-02 US disclosed
EP-1100789-B1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER CROPSCIENCE AG (DE) 2005-02-09 EP disclosed
US-20040248740-A1 Substituted benzoylpyrazoles MULLER KLAUS-HELMUT (DE) 2004-12-09 US disclosed
EP-1181280-B1 SUBSTITUTED BENZOYL KETONES, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2004-12-01 EP disclosed
US-6762152-B1 FOUR TO SEVEN MEMBERED HETEROCYCLES SUBSTITUTED ON BENZENE RING; REACTION OF A KETONE WITH A SUBSTITUTED BENZOIC ACID BAYER AKTIENGESELLSCHAFT (DE) 2004-07-13 US disclosed
EP-1181280-A1 SUBSTITUTED BENZOYL KETONES, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-02-27 EP disclosed
EP-1165547-A1 SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-01-02 EP disclosed
CN-1310714-A Substituted Benzoylcyclohexanediones BAYER AG (DE) 2001-08-29 CN disclosed
EP-1100789-A1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER AG (DE) 2001-05-23 EP disclosed
WO-2000068204-A1 SUBSTITUTED BENZOYL KETONES, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed
WO-2000058306-A1 SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-10-05 WO disclosed
WO-2000005221-A1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER AKTIENGESELLSCHAFT (DE) 2000-02-03 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 (1 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-20040248740-A1 Substituted benzoylpyrazoles CYP1B1, CYP1A1, CYP2E1 TSHR 2059/4885ALDH1A1 56/4885L3MBTL1 2412/4885

“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.