SCHEMBL5880694

SCHEMBL5880694

OB(O)c1cccc2cc3ccccc3c(-c3ccccc3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.42
CES1 P23141 1/20 0.41
ALOX5 P09917 2/20 0.40
CYP1A2 P05177 3/20 0.40
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GPR84 Q9NQS5 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B1 P14061 1/20 0.38
CYP2B6 P20813 1/20 0.38
HSD17B2 P37059 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
SCHEMBL17711580 0.83 CES1 (0.47) NQO2CES1ALOX5CYP1A2ERBB2
SCHEMBL31544311 0.80 ACHE (0.40) CYP1A2ACHEKMT2AKDM4ECYP2C19
Boric Acid SCHEMBL38664720 0.79 ALOX5 (0.55) ALOX5CYP1A2ACHEMEN1KMT2A
Boric Acid SCHEMBL28659588 0.79 ALOX5 (0.55) ALOX5CYP1A2ACHEMEN1KMT2A
SCHEMBL27603605 0.78 CYP1A2 (0.49) NQO2CES1ALOX5CYP1A2ERBB2
SCHEMBL19878530 0.77 CYP1A2 (0.42) NQO2CES1CYP1A2ERBB2FYN
SCHEMBL2519749 0.76 CES1 (0.59) NQO2CES1ALOX5CYP1A2ERBB2
SCHEMBL31544310 0.75 ESR1 (0.37) CES1ALOX5CYP1A2MEN1KMT2A
SCHEMBL22534538 0.75 MGLL (0.42) ALOX5CYP1A2MEN1KMT2AKDM4E
SCHEMBL5880687 0.75 NQO2 (0.45) NQO2CES1ALOX5CYP1A2ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10937971-B2 Organic monomolecular white light material, manufacturing method for the same, and OLED element SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2021-03-02 US claimed
US-20200295274-A1 ORGANIC MONOMOLECULAR WHITE LIGHT MATERIAL, MANUFACTURING METHOD FOR THE SAME, AND OLED ELEMENT SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2020-09-17 US claimed
US-9980668-B2 Photoluminescent nanostructure-based sensors MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-05-29 US claimed
EP-2739977-A1 PHOTOLUMINESCENT NANOSTRUCTURE-BASED SENSORS Massachusetts Institute of Technology (US) 2014-06-11 EP claimed
WO-2013019722-A1 PHOTOLUMINESCENT NANOSTRUCTURE-BASED SENSORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-02-07 WO claimed
US-20130035567-A1 PHOTOLUMINESCENT NANOSTRUCTURE-BASED SENSORS NATIONAL SCIENCE FOUNDATION 2013-02-07 US claimed
EP-3915982-B1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME SOULBRAIN CO LTD (KR) 2022-11-30 EP disclosed
US-11499088-B2 Boronic hydrate inhibitors SHELL USA, INC. (US) 2022-11-15 US disclosed
US-11374177-B2 Compound and organic light emitting device comprising the same SOULBRAIN CO., LTD. (KR) 2022-06-28 US disclosed
WO-2022131575-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME (주)피엔에이치테크 2022-06-23 WO disclosed
EP-3915982-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME Soulbrain Co., Ltd. (KR) 2021-12-01 EP disclosed
US-10937971-B2 Organic monomolecular white light material, manufacturing method for the same, and OLED element SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2021-03-02 US disclosed
US-20200362225-A1 BORONIC HYDRATE INHIBITORS SHELL USA, INC. 2020-11-19 US disclosed
US-20160126479-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-05 US disclosed
US-20150236265-A1 INDENE-BASED COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-20 US disclosed
EP-2739977-A1 PHOTOLUMINESCENT NANOSTRUCTURE-BASED SENSORS Massachusetts Institute of Technology (US) 2014-06-11 EP disclosed
WO-2013019722-A1 PHOTOLUMINESCENT NANOSTRUCTURE-BASED SENSORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-02-07 WO disclosed
US-20130035567-A1 PHOTOLUMINESCENT NANOSTRUCTURE-BASED SENSORS NATIONAL SCIENCE FOUNDATION 2013-02-07 US disclosed
US-7049011-B2 Organic electroluminescent device TDK CORPORATION (JP) 2006-05-23 US disclosed
US-20040048100-A1 Organic electroluminescent device TDK CORPORATION (JP) 2004-03-11 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 (6 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-10937971-B2 Organic monomolecular white light material, manufacturing method for the same, and OLED element NLRP3, NLRP1, OCIAD1 NQO2 3337/4885CES1 4820/4885ALOX5 243/4885
US-20200362225-A1 BORONIC HYDRATE INHIBITORS BCL6B, BRI3BP, BCCIP NQO2 762/4885CES1 2594/4885ALOX5 4573/4885
US-11499088-B2 Boronic hydrate inhibitors BCL6B, BRI3BP, BCCIP NQO2 762/4885CES1 2594/4885ALOX5 4573/4885
US-11374177-B2 Compound and organic light emitting device comprising the same CRY1, CRY2, AOX1 NQO2 2054/4885CES1 2077/4885ALOX5 579/4885
US-20200295274-A1 ORGANIC MONOMOLECULAR WHITE LIGHT MATERIAL, MANUFACTURING METHOD FOR THE SAME, AND OLED ELEMENT NLRP3, NLRP1, OCIAD1 NQO2 3337/4885CES1 4820/4885ALOX5 243/4885
US-20160126479-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME ODC1, AOX1, CYP1B1 NQO2 1683/4885CES1 334/4885ALOX5 231/4885

“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.