SCHEMBL5226691

SCHEMBL5226691

C=CCc1cccc(Cl)c1C=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
TDP1 Q9NUW8 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 3/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
HPGD P15428 3/20 0.38
RAB9A P51151 1/20 0.36
PNMT P11086 1/20 0.35
HSP90AA1 P07900 1/20 0.34
POLB P06746 2/20 0.34
AKR1B1 P15121 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AHR P35869 1/20 0.33
CYP1A2 P05177 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
SCHEMBL3083235 0.86 GABRA1 (0.50) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL13265468 0.79 GABRA1 (0.44) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL320332 0.79 ALDH1A1 (0.64) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL15653839 0.79 ALDH1A1 (0.64) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL8791921 0.78 GABRA1 (0.43) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL166586 0.78 GABRA1 (0.52) ALDH1A1MEN1KMT2AMAPTGABRA1
SCHEMBL5454241 0.77 GABRA1 (0.43) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL5227993 0.77 GABRA1 (0.43) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL15654024 0.77 ALDH1A1 (0.61) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL8262686 0.77 ALDH1A1 (0.61) ALDH1A1TDP1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197393-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES WITSCHEL MATTHIAS 2007-08-23 US disclosed
EP-1163240-B1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE BASF AG (DE) 2007-03-14 EP disclosed
US-7115545-B1 Tricyclic benzoylpyrazole derivatives used as a herbicide BASF AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
EP-1181295-B1 TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES BASF AG (DE) 2004-02-18 EP disclosed
US-6583089-B1 Pre- and postemergence herbicides such as (5,5-dimethyl-1,3-dioxocyclohex-2yl)(6-methoxy-3a,4-dihydro-3H -chromeno(4,3c) isoxazolin-9-yl)methanone, formed by acylation and rearranging in the presence of catalysts BASF AKTIENGESELLSCHAFT (DE) 2003-06-24 US disclosed
CN-1358186-A Tricyclic benzoylcylohexanedione derivatives BASF AG (DE) 2002-07-10 CN disclosed
EP-1181295-A2 TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
EP-1163240-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2001-12-19 EP disclosed
WO-2000073311-A2 TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-12-07 WO disclosed
WO-2000055158-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-09-21 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-20070197393-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES CBR3, CBR1, KAT8 ALDH1A1 4069/4885TDP1 3614/4885MEN1 4830/4885

“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.