SCHEMBL5602964

SCHEMBL5602964

COC(=O)C(Cc1cccc(Cl)c1)C(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MDM2 Q00987 1/20 0.43
POLB P06746 1/20 0.43
PTPRB P23467 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
APEX1 P27695 1/20 0.42
CTSL P07711 3/20 0.42
CTSV O60911 2/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL5603320 0.92 PNMT (0.53) PNMTALDH1A1HPGDMDM2POLB
SCHEMBL5600839 0.90 PNMT (0.50) PNMTHCAR2APEX1CTSLCTSV
SCHEMBL3348204 0.88 PNMT (0.49) PNMTALDH1A1HPGDMDM2POLB
SCHEMBL2427863 0.86 PNMT (0.46) PNMTALDH1A1HPGDMDM2POLB
SCHEMBL2430113 0.85 PNMT (0.45) PNMTALDH1A1HPGDMDM2POLB
SCHEMBL2421563 0.85 PNMT (0.45) PNMTALDH1A1HPGDMDM2POLB
SCHEMBL9755822 0.83 MMP8 (0.53) ALDH1A1MDM2POLBPTPRBPPARG
SCHEMBL2424055 0.82 HPGD (0.45) PNMTALDH1A1HPGDMDM2HCAR2
SCHEMBL19803579 0.82 PNMT (0.51) PNMTALDH1A1HPGDPOLBHCAR2
SCHEMBL8594261 0.82 PNMT (0.51) PNMTALDH1A1HPGDPOLBHCAR2

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
EP-1541545-B1 Malonic acid monomethyl derivates and production process thereof DAICEL CHEM (JP) 2007-06-27 EP disclosed
US-7208621-B2 Malonic acid monomethyl derivatives and production process thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-24 US disclosed
EP-1508562-B1 Novel acid halide derivatives, their production, and production of indanonecarboxylic acid esters using the same DAICEL CHEM (JP) 2006-12-27 EP disclosed
US-20060252957-A1 Monomethyl m-halobenzylmalonate useful for the production of an indanonecarboxylic acid ester having a halogen atom on the indanone ring. NOSE SATORU 2006-11-09 US disclosed
US-7109369-B2 Malonic acid monomethyl derivatives and production process thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-19 US disclosed
US-6916946-B2 Acid halide derivatives, their production, and production of indanonecarboxylic acid esters using the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-07-12 US disclosed
EP-1541545-A1 Malonic acid monomethyl derivates and production process thereof Daicel Chemical Industries, Ltd. (JP) 2005-06-15 EP disclosed
US-20050124825-A1 Novel malonic acid monomethyl derivatives and production process thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-09 US disclosed
US-20050043568-A1 Novel acid halide derivatives, their production, and production of indanonecarboxylic acid esters using the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-02-24 US disclosed
EP-1508562-A1 Novel acid halide derivatives, their production, and production of indanonecarboxylic acid esters using the same Daicel Chemical Industries, Ltd. (JP) 2005-02-23 EP 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 (3 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-20050043568-A1 Novel acid halide derivatives, their production, and production of indanonecarboxylic acid esters using the same DDT, BCKDK, CYP4A22 PNMT 4851/4885ALDH1A1 83/4885HPGD 448/4885
US-20050124825-A1 Novel malonic acid monomethyl derivatives and production process thereof ME1, ME3, ME2 PNMT 3301/4885ALDH1A1 276/4885HPGD 782/4885
US-20060252957-A1 Monomethyl m-halobenzylmalonate useful for the production of an indanonecarboxylic acid ester having a halogen atom on the indanone ring. BCKDK, ME1, MGAM PNMT 2954/4885ALDH1A1 524/4885HPGD 384/4885

“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.