SCHEMBL6841193

SCHEMBL6841193

COC(=O)C(Br)(C(=O)OC)c1ccc(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALPL P05186 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL6834735 0.81 HPGD (0.40) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL6839570 0.79 MEN1 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL16672484 0.78 SMN1; SMN2 (0.44) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL547895 0.72 NOTUM (0.43) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL10453655 0.69 TDP1 (0.41) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL12180525 0.69 LPAR1 (0.46) MEN1KMT2AHPGDALDH1A1HTT
SCHEMBL11604716 0.69 MAPT (0.36) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL16672493 0.69 SMN1; SMN2 (0.49) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL11668071 0.68 CYP2C9 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL13091100 0.68 TP53 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1HTT

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 MEN1 4412/4885KMT2A 1001/4885HPGD 115/4885
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols DDT, CYP2E1, CYP8B1 MEN1 3842/4885KMT2A 789/4885HPGD 193/4885

“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.

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