SCHEMBL6839570

SCHEMBL6839570

Cc1ccc(C(Br)(C(=O)O)C(=O)O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TP53 P04637 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.38
▸ TTR P02766 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ SLCO1B3 Q9NPD5 1/20 0.37
▸ CISD1 Q9NZ45 1/20 0.37

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
SCHEMBL11668071 0.80 CYP2C9 (0.40) MEN1KMT2ATP53TDP1CYP2C9
SCHEMBL6841193 0.79 MEN1 (0.43) MEN1KMT2ATP53TDP1SMN1; SMN2
SCHEMBL6838457 0.78 CYP2C9 (0.39) MEN1KMT2ATP53TDP1CYP2C9
SCHEMBL1954071 0.76 CYP2C9 (0.41) MEN1KMT2ATP53TDP1CYP2C9
SCHEMBL13091100 0.72 TP53 (0.40) MEN1KMT2ATP53TDP1CYP2C9
SCHEMBL15678397 0.72 MEN1 (0.41) MEN1KMT2ATP53TDP1CYP2C9
SCHEMBL18242406 0.72 TDP1 (0.42) MEN1KMT2ATP53TDP1SMN1; SMN2
SCHEMBL3137094 0.71 SMN1; SMN2 (0.41) MEN1KMT2ATP53TDP1CYP2C9
SCHEMBL7610097 0.70 TDP1 (0.46) MEN1KMT2ATP53TDP1SMN1; SMN2
SCHEMBL18546040 0.70 CASR (0.53) MEN1KMT2ATP53TDP1SMN1; SMN2

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 1001/4885TP53 2347/4885
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols DDT, CYP2E1, CYP8B1 MEN1 3842/4885KMT2A 789/4885TP53 3236/4885

“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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