SCHEMBL3045995

SCHEMBL3045995

O=CC(=O)c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
PARP1 P09874 1/20 0.59
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
POLB P06746 2/20 0.54
MAOB P27338 4/20 0.53
MAOA P21397 3/20 0.53
PTPN1 P18031 1/20 0.53
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP1B1 Q16678 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49

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
Water SCHEMBL8938090 0.98 ALDH1A1 (0.57) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL31167601 0.85 ALDH1A1 (0.71) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL503007 0.84 TDP1 (0.68) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL11045034 0.82 ALDH1A1 (0.62) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL3187747 0.82 ALDH1A1 (0.57) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL3671008 0.79 ALDH1A1 (0.63) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL8217879 0.79 HTT (0.58) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL30641501 0.79 ALDH1A1 (0.68) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL2904745 0.79 ALDH1A1 (0.54) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL29273761 0.79 ALDH1A1 (0.68) ALDH1A1GAAMAPTHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014106763-A1 PYRIDOPYRAZINES AS ANTICANCER AGENTS VICHEM CHEMIE KUTATÓ KFT. (HU) 2014-07-10 WO disclosed
US-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2010-07-01 US disclosed
EP-1917246-B1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2009-11-11 EP disclosed
EP-2035573-A1 METHODS FOR IDENTIFYING MODULATORS OF EOXIN FORMATION Biolipox AB (SE) 2009-03-18 EP disclosed
EP-1917246-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS Novartis AG (CH) 2008-05-07 EP disclosed
WO-2008001079-A1 METHODS FOR IDENTIFYING MODULATORS OF EOXIN FORMATION BIOLIPOX AB (SE) 2008-01-03 WO disclosed
WO-2007020046-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2007-02-22 WO disclosed
EP-0973720-A1 2-SUBSTITUTED BENZOYL-CYCLOALKYL-1-CARBOXYLIC ACID DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 2000-01-26 EP disclosed
WO-1998040344-A1 2-SUBSTITUTED BENZOYL-CYCLOALKYL-1-CARBOXYLIC ACID DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1998-09-17 WO disclosed
EP-0262785-B1 N-[2-(4-carboxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(3-chlorophenyl)ethane amine, the methyl ester, salt and stereoisomeric forms thereof BEECHAM GROUP PLC (GB) 1993-10-20 EP disclosed
US-4405619-A ANALGESICS DIAMOND SHAMROCK CORPORATION (US) 1983-09-20 US disclosed
EP-0088109-A1 ANTIINFLAMMATORY SUBSTITUTED-1,2,4-TRIAZOLO(4,3-b)-1,2,4-TRIAZINES DIAMOND SHAMROCK CORPORATION (US) 1983-09-14 EP disclosed
WO-1983000864-A1 ANTIINFLAMMATORY SUBSTITUTED-1,2,4-TRIAZOLOAD4,3-bBD-1,2,4-TRIAZINES DIAMOND SHAMROCK CORP (US) 1983-03-17 WO disclosed
EP-0028105-B1 SECONDARY AMINES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1983-01-19 EP disclosed
US-4329358-A 3-Chlorophenyl anti-obesity agents BEECHAM GROUP LIMITED (GB) 1982-05-11 US disclosed
EP-0040000-A1 Arylethanolamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-11-18 EP disclosed
EP-0028105-A1 Secondary amines, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-05-06 EP disclosed
US-4251527-A ANTIINFLAMMATORY AGENTS DIAMOND SHAMROCK CORPORATION (US) 1981-02-17 US disclosed
US-4157392-A HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS DIAMOND SHAMROCK CORPORATION (US) 1979-06-05 US disclosed
US-4046763-A INTERMEDIATE FOR ULTRAVIOLET LIGHT ABSORBERS MCNEIL LABORATORIES, INCORPORATED (US) 1977-09-06 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-20100166765-A1 BENZOQUINAZOLINE DERIVATIVES CACNA1A, BMP4, TPX2 ALDH1A1 3966/4885GAA 1216/4885MAPT 4506/4885

“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.