SCHEMBL6838457

SCHEMBL6838457

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ CSNK2A1 P68400 1/20 0.37
▸ TTR P02766 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C8 P10632 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ SLCO1B3 Q9NPD5 1/20 0.36
▸ CISD1 Q9NZ45 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 0.80 HPGD (0.40) TDP1TP53SMN1; SMN2ALDH1A1HTT
SCHEMBL11668071 0.78 CYP2C9 (0.40) CYP2C9TDP1TP53SMN1; SMN2ALDH1A1
SCHEMBL6839570 0.78 MEN1 (0.43) CYP2C9TDP1TP53SMN1; SMN2ALDH1A1
SCHEMBL28027575 0.74 TDP1 (0.42) TDP1TP53SMN1; SMN2ALDH1A1HTT
SCHEMBL9943563 0.74 TDP1 (0.42) TDP1TP53SMN1; SMN2ALDH1A1HTT
SCHEMBL1954071 0.74 CYP2C9 (0.41) CYP2C9TDP1TP53SMN1; SMN2ALDH1A1
SCHEMBL11501560 0.73 TDP1 (0.41) TDP1TP53SMN1; SMN2ALDH1A1HTT
SCHEMBL13091100 0.71 TP53 (0.40) CYP2C9TDP1TP53SMN1; SMN2ALDH1A1
SCHEMBL15678397 0.70 MEN1 (0.41) CYP2C9TDP1TP53SMN1; SMN2ALDH1A1
SCHEMBL18242406 0.70 TDP1 (0.42) TDP1TP53SMN1; SMN2ALDH1A1MEN1

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 CYP2C9 121/4885TDP1 1512/4885TP53 2347/4885
US-20020022575-A1 Dialkyl-halogenophenyl-substituted ketoenols DDT, CYP2E1, CYP8B1 CYP2C9 136/4885TDP1 1771/4885TP53 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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