SCHEMBL6181797

SCHEMBL6181797

O=C(O)C(Br)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CES1 P23141 5/20 0.50
CES2 O00748 4/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 4/20 0.48
CYP3A4 P08684 3/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
PARP1 P09874 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MDM2 Q00987 1/20 0.47
ALDH1A1 P00352 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
TP53 P04637 1/20 0.43

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
SCHEMBL330776 0.90 TDP1 (0.56) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL12228069 0.86 TDP1 (0.50) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL330589 0.82 L3MBTL1 (0.48) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL28007310 0.81 TDP1 (0.52) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL27316033 0.80 ALDH1A1 (0.52) TDP1CES1CES2LMNAMAPT
SCHEMBL8740775 0.80 GSK3B (0.60) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL3703925 0.80 TDP1 (0.56) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL379271 0.80 GSK3B (0.60) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL9157738 0.80 TDP1 (0.56) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL20995296 0.79 CES2 (0.61) TDP1L3MBTL1CES1CES2LMNA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109593096-A Tricyclic heterocyclic as BET protein inhibitor 因赛特公司 2019-04-09 CN disclosed
CN-105164131-B Tricyclic heterocycles as BET protein inhibitors 因赛特公司 2018-12-28 CN disclosed
CN-107624112-A Small molecule inhibitors of lactate dehydrogenase and methods of use thereof 美国政府健康及人类服务部 2018-01-23 CN disclosed
CN-101918389-A Histone deacetylase inhibitors METHYLGENE INC 2010-12-15 CN disclosed
EP-1291345-B1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6924276-B2 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-08-02 US disclosed
US-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors SORENSON RODERICK JOSEPH (US) 2003-05-08 US disclosed
EP-1291345-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2003-03-12 EP disclosed
CN-1042639-C Process for the preparation of low molecular weight copolymers of ethylene and at least one other 1-olefin DSM NV (NL) 1999-03-24 CN disclosed
US-5728911-A CATALYTIC SOLUTION COPOLYMERIZATION OF ETHYLENE WITH POLYUNSATURATED MONOMER DSM COPOLYMER, INC. (US) 1998-03-17 US disclosed
WO-1995000564-A1 PROCESS FOR THE PREPARATION OF LOW MOLECULAR WEIGHT COPOLYMERS OF ETHYLENE WITH AT LEAST ONE OTHER 1-ALKENE DSM N.V. (NL) 1995-01-05 WO disclosed
EP-0062113-B1 FRACTIONATION OF ALKYL CARBOXYLATE MIXTURES THE PROCTER & GAMBLE COMPANY (US) 1985-09-25 EP disclosed
US-4435552-A COORDINATION CATALYST CONTAINING HALOACYL COMPOUND STAMICARBON B.V. (NL) 1984-03-06 US disclosed
EP-0062114-A1 Fractionation of triglyceride mixtures THE PROCTER & GAMBLE COMPANY (US) 1982-10-13 EP disclosed
EP-0062113-A1 Fractionation of alkyl carboxylate mixtures THE PROCTER & GAMBLE COMPANY (US) 1982-10-13 EP disclosed
EP-0044119-A2 Process for the preparation of copolymers of ethylene with at least one other 1-alkene STAMICARBON B.V. (NL) 1982-01-20 EP disclosed
US-4284580-A ADSORPTION ON ZEOLITE THE PROCTER & GAMBLE COMPANY (US) 1981-08-18 US disclosed
US-4282164-A ACCORDING TO DEGREE OF UNSATURATION USING ALUMINATED SILICA GEL ADSORBENT FOLLOWED BY DESORPTION THE PROCTER & GAMBLE COMPANY (US) 1981-08-04 US disclosed
US-4277413-A ACCORDING TO DEGREE OF UNSATURATION BY PREFERENTIAL ADSORPTION ON PERMUTITE AND USING SELECTED SOLVENTS THE PROCTER & GAMBLE COMPANY (US) 1981-07-07 US disclosed
US-4277412-A PREFERENTIAL ADSORPTION BY PERMUTITE ON THE BASIS OF IODINE NUMBER AND USING SELECTED SOLVENTS THE PROCTOR & GAMBLE COMPANY (US) 1981-07-07 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 (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-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP3, MMP9 TDP1 1854/4885L3MBTL1 3063/4885CES1 441/4885

“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.