SCHEMBL509855

SCHEMBL509855

CCc1ccccc1CC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.64
TDP1 Q9NUW8 1/20 0.55
PTGS2 P35354 3/20 0.53
CYP19A1 P11511 1/20 0.53
BCAT2 O15382 1/20 0.48
CXCL8 P10145 5/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
PTGS1 P23219 3/20 0.46
ABCC4 O15439 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
AKR1B10 O60218 1/20 0.44
UGT1A9 O60656 1/20 0.44
TRPA1 O75762 1/20 0.44

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
SCHEMBL30688321 1.00 AKR1B1 (0.64) AKR1B1TDP1PTGS2CYP19A1BCAT2
Lithium SCHEMBL29869572 0.98 AKR1B1 (0.61) AKR1B1TDP1PTGS2CYP19A1BCAT2
Hydrochloric Acid SCHEMBL8100842 0.98 AKR1B1 (0.61) AKR1B1TDP1PTGS2CYP19A1BCAT2
Ammonia Solution, Strong SCHEMBL10516496 0.98 AKR1B1 (0.61) AKR1B1TDP1PTGS2CYP19A1BCAT2
Hydrochloric Acid SCHEMBL8899098 0.96 AKR1B1 (0.59) AKR1B1TDP1PTGS2CYP19A1BCAT2
Methyl Alcohol SCHEMBL28299530 0.90 AKR1B1 (0.70) AKR1B1TDP1PTGS2CYP19A1BCAT2
SCHEMBL30359 0.90 AKR1B1 (0.76) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL29410826 0.90 AKR1B1 (0.76) AKR1B1TDP1PTGS2BCAT2CXCL8
Hydrochloric Acid SCHEMBL6767821 0.87 AKR1B1 (0.73) AKR1B1TDP1PTGS2BCAT2CXCL8
Iodide SCHEMBL31305035 0.87 AKR1B1 (0.73) AKR1B1TDP1PTGS2CYP19A1BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107810057-B Antifouling oligomerization catalyst system 沙特阿拉伯石油公司 2021-06-04 CN claimed
EP-3817766-A2 COMBINATION THERAPY WITH CGRP ANTAGONISTS AND CLOSTRIDIAL DERIVATIVES Allergan Pharmaceuticals International Limited (IE) 2021-05-12 EP claimed
EP-3423028-B1 METHOD FOR THE PRODUCTION OF ENCAPSULATED FRAGRANCE WITH IMPROVED STABILITY AGAINST DETERGENTS SYMRISE AG (DE) 2020-04-08 EP claimed
WO-2020008402-A2 COMBINATION THERAPY WITH CGRP ANTAGONISTS AND CLOSTRIDIAL DERIVATIVES ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2020-01-09 WO claimed
US-20160168306-A1 NOVEL COMPOSITIONS AND METHODS TO PRODUCE TRIAZINE-ARYLHYDROXY-ALDEHYDE CONDENSATES WITH IMPROVED SOLUBILITY WILMINGTON SAVINGS FUND SOCIETY, FSB, AS THE CURRENT COLLATERAL AGENT 2016-06-16 US claimed
EP-2185168-B2 METHOD FOR PREPARING A HYPERICUM EXTRACT IN NEEM OIL AND A SUBSTANCE SO OBTAINED MOSES S R L (SM) 2015-07-01 EP claimed
EP-2185168-B1 METHOD FOR PREPARING A HYPERICUM EXTRACT IN NEEM OIL AND A SUBSTANCE SO OBTAINED MOSES S R L (SM) 2012-10-31 EP claimed
US-8211481-B2 Method for preparing a hypericum extract in neem oil and a substance so obtained MOSES S.R.L. (SM) 2012-07-03 US claimed
US-20100189823-A1 Method For Preparing A Hypericum Extract In Neem Oil And A Substance So Obtained MOSES S.R.L. (SM) 2010-07-29 US claimed
EP-2185168-A1 METHOD FOR PREPARING A HYPERICUM EXTRACT IN NEEM OIL AND A SUBSTANCE SO OBTAINED Moses S.R.L. (SM) 2010-05-19 EP claimed
EP-1082607-A1 SURFACE REGENERATION OF BIOSENSORS Biacore AB (SE) 2001-03-14 EP claimed
US-6197743-B1 CONCURRENT ADMINISTERING INDUCTION AGENT AND VIRICIDES THE TRUSTEES OF BOSTON UNIVERSITY 2001-03-06 US claimed
EP-0969869-A2 COMPOSITIONS COMPRISING AN INDUCING AGENT AND AN ANTI-VIRAL AGENT FOR THE TREATMENT OF BLOOD, VIRAL AND CELLULAR DISORDERS Perrine, Susan P. (US) 2000-01-12 EP claimed
WO-1999063333-A1 SURFACE REGENERATION OF BIOSENSORS BIACORE AB (SE) 1999-12-09 WO claimed
US-5939456-A METHOD OF STIMULATING THE EXPRESSION OF A GLOBIN PROTEIN, OR THE PROLIFERATION OR DEVELOPMENT OF ERYTHROID CELLS, MYELOID CELLS OR MEGAKARYOCYTIC CELLS FOR TREATING A DISORDER SELECTED FROM THE GROUP CONSISTING OF CYTOPENIA, AN ANEMIA AND NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1999-08-17 US claimed
WO-1998004290-A2 COMPOSITIONS COMPRISING AN INDUCING AGENT AND AN ANTI-VIRAL AGENT FOR THE TREATMENT OF BLOOD, VIRAL AND CELLULAR DISORDERS PERRINE SUSAN P (US) 1998-02-05 WO claimed
US-4992151-A Method for the selective alpha halogenation of alkylaromatic compounds THE DOW CHEMICAL COMPANY (US) 1991-02-12 US claimed
WO-1989009828-A1 METHOD AND MATERIALS FOR THE MICROBIAL BIOCONVERSION OF TOLUENE AND OTHER PHENYL COMPOUNDS AMGEN INC. (US) 1989-10-19 WO claimed
EP-0336719-A2 Method and materials for the microbial bioconversion of toluene and other phenyl compounds AMGEN INC. (US) 1989-10-11 EP claimed
US-3932534-A NI, AL, MG, ZN OXIDE CATALYST KYOWA KAGAKU KOGYO KABUSHIKI KAISHI (JA) 1976-01-13 US claimed