SCHEMBL3626205

SCHEMBL3626205

CCCCC1CC(=O)C=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36
CYP19A1 P11511 8/20 0.33
CYP1A2 P05177 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DNTT P04053 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL11522060 0.93 DNTT (0.38) CYP19A1CYP1A2ALDH1A1POLBL3MBTL1
SCHEMBL21580211 0.81 ALOX5 (0.40) CYP19A1CYP1A2ALDH1A1POLBL3MBTL1
SCHEMBL10703271 0.79 NFKB1 (0.33) NFKB1NFKB2RELA
SCHEMBL6903173 0.74 NFKB1 (0.37) NFKB1NFKB2RELACYP19A1MEN1
SCHEMBL19439672 0.74
SCHEMBL2689291 0.72
SCHEMBL4864903 0.72 NFKB1 (0.38) NFKB1NFKB2RELACYP19A1CYP1A2
SCHEMBL7735061 0.71 MME (0.38) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL26761308 0.70 ALDH1A1 (0.47) NFKB1NFKB2RELACYP1A2MEN1
SCHEMBL6900417 0.69 DNTT (0.36) CYP19A1CYP1A2ALDH1A1L3MBTL1DNTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012075053-A2 LIGNIN OXIDATION AND PRODUCTS THEREOF STRATEGIC ENZYME APPLICATIONS, INC. (US) 2012-06-07 WO claimed
US-10654973-B2 Method for producing polycarbonate SHELL OIL COMPANY (US) 2020-05-19 US disclosed
US-10640609-B2 Method for preparing a melt polycarbonate SHELL OIL COMPANY (US) 2020-05-05 US disclosed
EP-3394146-B1 METHOD FOR PREPARING A MELT POLYCARBONATE SHELL INT RESEARCH (NL) 2019-10-30 EP disclosed
EP-3394149-B1 METHOD FOR PRODUCING POLYCARBONATE SHELL INT RESEARCH (NL) 2019-10-30 EP disclosed
US-20190010281-A1 METHOD FOR PRODUCING POLYCARBONATE OLIGOMERS SHELL OIL COMPANY 2019-01-10 US disclosed
US-20180371162-A1 METHOD FOR PREPARING A MELT POLYCARBONATE SHELL OIL COMPANY 2018-12-27 US disclosed
US-20180371164-A1 METHOD FOR PRODUCING POLYCARBONATE SHELL OIL COMPANY (US) 2018-12-27 US disclosed
US-20180371163-A1 METHOD FOR PRODUCING OLIGOMERS FOR PRODUCING POLYCARBONATES SHELL OIL COMPANY 2018-12-27 US disclosed
EP-3394147-A1 METHOD FOR PRODUCING OLIGOMERS FOR PRODUCING POLYCARBONATES SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B.V. (NL) 2018-10-31 EP disclosed
WO-2017112622-A1 METHOD FOR PRODUCING OLIGOMERS FOR PRODUCING POLYCARBONATES SHELL OIL COMPANY (US) 2017-06-29 WO disclosed
EP-2183425-A1 STABILIZED DECOLORIZING COMPOSITION Kimberly-Clark Worldwide, Inc. (US) 2010-05-12 EP disclosed
EP-2084227-A1 THERMOPLASTIC COMPOSITION, METHOD OF MANUFACTURE THEREOF, AND ARTICLES DERIVED THEREFROM Sabic Innovative Plastics IP B.V. (NL) 2009-08-05 EP disclosed
WO-2009027877-A1 STABILIZED DECOLORIZING COMPOSITION KIMBERLY-CLARK WORLDWIDE, INC. (US) 2009-03-05 WO disclosed
WO-2008063724-A1 THERMOPLASTIC COMPOSITION, METHOD OF MANUFACTURE THEREOF, AND ARTICLES DERIVED THEREFROM SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-05-29 WO disclosed
CN-1815223-A Method for detecting tertiary butylhydro quinone in edible vegetable oil by liquid chromatography-iontrap mass spectrometry combination UNIV BEIJING (CN) 2006-08-09 CN disclosed
EP-0712435-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS CONTAINING BIODEGRADABLE COMPOUNDS HAVING UNSATURATION THE PROCTER & GAMBLE COMPANY (US) 1996-05-22 EP disclosed
WO-1995004802-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS CONTAINING BIODEGRADABLE COMPOUNDS HAVING UNSATURATION THE PROCTER & GAMBLE COMPANY (US) 1995-02-16 WO disclosed
US-4016047-A VACUUM DISTILLATION WITH A FREE-RADICAL ACTING COLOR INHIBITOR VULCAN MATERIALS COMPANY (US) 1977-04-05 US disclosed
US-3986980-A SYNERGISTIC ANTIOXIDANT COMPOSITION COMPRISING ASCORBIC ACID AND 6-HYDROXY-2,5,7,8-TETRAMETHYLCHROMAN-2- CARBOXYLIC ACID HOFFMANN-LA ROCHE INC. (US) 1976-10-19 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-10640609-B2 Method for preparing a melt polycarbonate PKD1, HSD17B7, DHCR7 NFKB1 2535/4885NFKB2 2143/4885RELA 2372/4885

“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.