SCHEMBL3420118

SCHEMBL3420118

Cc1cc2c(cc1C)C(=O)c1cc(C)c(C)cc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 3/20 0.50
POR P16435 3/20 0.50
ELANE P08246 1/20 0.46
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
ESR1 P03372 1/20 0.39
UGT1A1 P22309 1/20 0.39
ESR2 Q92731 1/20 0.39
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
TDP2 O95551 1/20 0.38

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
SCHEMBL10421261 0.97 NQO1 (0.48) NQO1PORELANEMAOAMAOB
SCHEMBL9751019 0.90 NQO1 (0.54) NQO1PORELANEMAOAMAOB
SCHEMBL5808549 0.87 MAOA (0.56) NQO1PORELANEMAOAMAOB
SCHEMBL30002616 0.87 MAOA (0.56) NQO1PORELANEMAOAMAOB
SCHEMBL14884476 0.86 NQO1 (0.42) NQO1PORELANEMAOAMAOB
SCHEMBL56435 0.86 ELANE (0.67) ELANEMAOAMAOBBCHECES1
SCHEMBL452078 0.84 ELANE (0.41) NQO1PORELANEMAOAMAOB
SCHEMBL11350061 0.82 AURKA (0.44) NQO1PORELANEMAOAMAOB
SCHEMBL30003301 0.82 IDO1 (0.48) NQO1PORELANEMAOAMAOB
SCHEMBL1863215 0.82 IDO1 (0.48) NQO1PORELANEMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384092-B2 Dianhydride compound having rigid alicyclic fluorine-containing structure, and preparation method and use thereof HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-07-12 US claimed
US-20210094965-A1 DIANHYDRIDE COMPOUND HAVING RIGID ALICYCLIC FLUORINE-CONTAINING STRUCTURE, AND PREPARATION METHOD AND USE THEREOF HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-04-01 US claimed
US-5723675-A DIELS-ALDER REACTION OF 1,4-NAPHTHOQUINONE, 1,4-BENZOQUINONE WITH 1,3-BUTADIENE AND DEHYDROGENATION WITH LEWIS ACID OR BRONSTED ACID AS OXIDATIVE CATALYST KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 1998-03-03 US claimed
CN-114057762-B Rigid alicyclic ketone anhydride compound and preparation method and application thereof 华中科技大学 2023-07-25 CN disclosed
US-20230197361-A1 CONDUCTIVE TWO-DIMENSIONAL (2D) COVALENT ORGANIC FRAMEWORKS (COFS) AND METHOD OF MAKING AN ELECTRODE MATERIAL UNIV KING ABDULLAH SCI & TECH (SA) 2023-06-22 US disclosed
US-11384092-B2 Dianhydride compound having rigid alicyclic fluorine-containing structure, and preparation method and use thereof HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-07-12 US disclosed
US-11384092-B2 Dianhydride compound having rigid alicyclic fluorine-containing structure, and preparation method and use thereof HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-07-12 US disclosed
CN-114057762-A Rigid alicyclic ketone anhydride compound and preparation method and application thereof 华中科技大学 2022-02-18 CN disclosed
US-20210094965-A1 DIANHYDRIDE COMPOUND HAVING RIGID ALICYCLIC FLUORINE-CONTAINING STRUCTURE, AND PREPARATION METHOD AND USE THEREOF HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-04-01 US disclosed
US-20210094965-A1 DIANHYDRIDE COMPOUND HAVING RIGID ALICYCLIC FLUORINE-CONTAINING STRUCTURE, AND PREPARATION METHOD AND USE THEREOF HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-04-01 US disclosed
US-10227281-B2 Preparation of 2,6- and 2,7-disubstituted anthraquinone derivates BASF SE (DE) 2019-03-12 US disclosed
WO-2007024522-A1 CONDENSATION POLYMER PHOTOCONDUCTIVE ELEMENTS EASTMAN KODAK COMPANY (US) 2007-03-01 WO disclosed
US-20070042282-A1 Condensation polymer photoconductive elements EASTMAN KODAK COMPANY 2007-02-22 US disclosed
US-20070042282-A1 Condensation polymer photoconductive elements EASTMAN KODAK COMPANY 2007-02-22 US disclosed
CN-1239447-C Organic electroluminescent material UNIV TSINGHUA (CN) 2006-02-01 CN disclosed
CN-1157461-C Bispirocyclo derivative and its application in electroluminescent material 清华大学 2004-07-14 CN disclosed
US-6441124-B1 POLYIMINES DERIVED FROM THE REACTION OF A SUBSTITUTED OR UNSUBSTITUTED ANTHRAQUINONE WITH A DIAMINOANTHRACENE; USE IN ELECTROMAGNETIC SHIELDING, AND ANTISTATIC APPLICATIONS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-27 US disclosed
CN-1362464-A Organic electroluminescent material UNIV QINGHUA (CN) 2002-08-07 CN disclosed
CN-1338499-A Bispirocyclo derivative and its application in electroluminescent material UNIV QINGHUA (CN) 2002-03-06 CN disclosed
US-5723675-A DIELS-ALDER REACTION OF 1,4-NAPHTHOQUINONE, 1,4-BENZOQUINONE WITH 1,3-BUTADIENE AND DEHYDROGENATION WITH LEWIS ACID OR BRONSTED ACID AS OXIDATIVE CATALYST KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 1998-03-03 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 (4 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-11384092-B2 Dianhydride compound having rigid alicyclic fluorine-containing structure, and preparation method and use thereof CA3, MLLT3, TET3 NQO1 1772/4885POR 1530/4885ELANE 1629/4885
US-20210094965-A1 DIANHYDRIDE COMPOUND HAVING RIGID ALICYCLIC FLUORINE-CONTAINING STRUCTURE, AND PREPARATION METHOD AND USE THEREOF CA3, MLLT3, TET3 NQO1 1772/4885POR 1530/4885ELANE 1629/4885
US-10227281-B2 Preparation of 2,6- and 2,7-disubstituted anthraquinone derivates NQO1, CYP1B1, SDHA NQO1 1/4885POR 778/4885ELANE 1381/4885
US-20230197361-A1 CONDUCTIVE TWO-DIMENSIONAL (2D) COVALENT ORGANIC FRAMEWORKS (COFS) AND METHOD OF MAKING AN ELECTRODE MATERIAL TET3, TET1, ALKBH2 NQO1 1142/4885POR 186/4885ELANE 3797/4885

“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.