SCHEMBL7001733

SCHEMBL7001733

Cc1cc(C)c(O)c(C(=O)c2ccccc2C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 1/20 0.53
AKR1C3 P42330 2/20 0.53
POLB P06746 1/20 0.53
ALOX15 P16050 1/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
METAP2 P50579 1/20 0.47
PSMD14 O00487 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MMP2 P08253 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL29378415 1.00 KMT2A (0.68) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL28268608 0.87 KMT2A (0.68) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL9513995 0.85 ALDH1A1 (0.58) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL29670017 0.84 ALDH1A1 (0.48) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL28413744 0.84 ALDH1A1 (0.48) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL7648043 0.83 AKR1C3 (0.61) KMT2ACYP3A4CYP2C9ALDH1A1HSD17B10
SCHEMBL30706280 0.82 HMGB1 (0.62) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL122472 0.82 HMGB1 (0.62) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL21812540 0.81 CYP3A4 (1.00) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL6964513 0.81 AKR1C3 (0.58) KMT2ACYP3A4CYP2C9ALDH1A1KDM4E

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096239-B Preparation route of 9-anthrone lactone framework compound and application of analogue thereof in antitumor aspect 中国海洋大学 2022-02-11 CN disclosed
EP-3419966-B1 UV-ABSORBING VINYLIC MONOMERS AND USES THEREOF ALCON INC (CH) 2020-03-25 EP disclosed
CN-109096239-A Application of the preparation route of 9- anthrone lactone skeleton compound and the like in anti-tumor aspect 中国海洋大学 2018-12-28 CN disclosed
US-6635602-B1 Heat sensitive and pressure sensitive recording material; synthesised directly by the reaction of two derivatives of amino phenols, phthalic anhydrides, keto acids and/or diphenylamines with a phenol derivative CIBA SPECIALTY CHEMICALS CORPORATION 2003-10-21 US disclosed
US-6566302-B1 For use in heat sensitive and pressure sensitive recording materials CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-20 US disclosed
EP-1107972-B1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN CIBA SC HOLDING AG (CH) 2003-01-02 EP disclosed
EP-1115579-B1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SC HOLDING AG (CH) 2002-11-20 EP disclosed
EP-1115579-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION Ciba SC Holding AG (CH) 2001-07-18 EP disclosed
EP-1107972-A1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN Ciba SC Holding AG (CH) 2001-06-20 EP disclosed
WO-2000026037-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-05-11 WO disclosed
WO-2000012318-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed
WO-2000012513-A1 NOVEL PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed
US-5739078-A FOR THERMAL RECORDING PAPERS AND PRESSURE SENSITIVE COPYING PAPERS NIPPON SODA CO., LTD. (JP) 1998-04-14 US disclosed
EP-0735105-A1 NOVEL FLUORAN COMPOUND, INTERMEDIATE, AND CHROMOGENIC RECORDING MATERIAL NIPPON SODA CO., LTD. (JP) 1996-10-02 EP disclosed
US-4954631-A INFRARED ABSORPTION; BLACK SHIN NISSO KAKO CO., LTD. (JP) 1990-09-04 US disclosed
US-4826806-A CHROMOGENIC DYES SHIN NISSO KAKO CO., LTD. (JP) 1989-05-02 US disclosed