SCHEMBL455953

SCHEMBL455953

Cc1cc(-c2ccccc2)ccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
ALOX5 P09917 1/20 0.41
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.38
ESR2 Q92731 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 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
SCHEMBL859159 0.88 ALDH1A1 (0.48) HSD17B1HSD17B2ABCG2ALDH1A1CYP3A4
SCHEMBL9405162 0.84 ALDH1A1 (0.41) HSD17B1HSD17B2ABCG2ALDH1A1CYP3A4
SCHEMBL15866568 0.83 ACHE (0.44) HSD17B1HSD17B2ALDH1A1TSHRESR2
SCHEMBL30554078 0.82 TNKS2 (0.42) HSD17B1HSD17B2TNKS2ALOX5BRD4
SCHEMBL455860 0.82 TNKS2 (0.42) HSD17B1HSD17B2TNKS2ALOX5BRD4
SCHEMBL879292 0.81 MCL1 (0.42) HSD17B1HSD17B2ALDH1A1CYP3A4TDP1
SCHEMBL21164632 0.79 MEN1 (0.41) ALDH1A1GAAL3MBTL1ESR2MEN1
SCHEMBL1986773 0.78 ALDH1A1 (0.49) HSD17B1HSD17B2TNKS2ALOX5BRD4
SCHEMBL30645568 0.78 ALDH1A1 (0.49) HSD17B1HSD17B2TNKS2ALOX5BRD4
SCHEMBL10391765 0.78 ALDH1A1 (0.47) HSD17B1HSD17B2ALOX5ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917906-B2 Compounds that can be used in an organic electronic device MERCK PATENT GMBH (DE) 2024-02-27 US disclosed
US-20230371357-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-16 US disclosed
US-20230234937-A1 INDENOAZANAPHTHALENES MERCK PATENT GMBH (DE) 2023-07-27 US disclosed
WO-2023096426-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME 주식회사 엘지화학 2023-06-01 WO disclosed
WO-2023085790-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-05-19 WO disclosed
US-20220006018-A1 COMPOUNDS THAT CAN BE USED FOR PRODUCING AN ORGANIC ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2022-01-06 US disclosed
US-20210391538-A1 COMPOUNDS THAT CAN BE USED IN AN ORGANIC ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2021-12-16 US disclosed
US-20210384443-A1 COMPOUNDS THAT CAN BE USED IN AN ORGANIC ELECTRONIC DEVICE AS ACTIVE COMPOUNDS MERCK PATENT GMBH (DE) 2021-12-09 US disclosed
US-20210363159-A1 HETEROCYCLIC COMPOUND FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-11-25 US disclosed
US-9284270-B2 Boronic acid catalysts and methods of use thereof for activation and transformation of carboxylic acids THE GOVERNERS OF THE UNIVERSITY OF ALBERTA (CA) 2016-03-15 US disclosed
US-20140142322-A1 Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids GREENCENTRE CANADA (CA) 2014-05-22 US disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO 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 (5 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-20140142322-A1 Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids BCAT1, ME1, BCAT2 HSD17B1 991/4885HSD17B2 847/4885ABCG2 616/4885
US-20220006018-A1 COMPOUNDS THAT CAN BE USED FOR PRODUCING AN ORGANIC ELECTRONIC DEVICE EED, ICMT, DDT HSD17B1 2150/4885HSD17B2 1411/4885ABCG2 2201/4885
US-20230371357-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE L1CAM, CHRM1, FOXM1 HSD17B1 2795/4885HSD17B2 3502/4885ABCG2 4507/4885
US-20210363159-A1 HETEROCYCLIC COMPOUND FOR USE IN ELECTRONIC DEVICES DDT, NQO1, CYP2E1 HSD17B1 1727/4885HSD17B2 1127/4885ABCG2 1416/4885
US-20230234937-A1 INDENOAZANAPHTHALENES NQO1, CYP2D6, SQOR HSD17B1 769/4885HSD17B2 652/4885ABCG2 2402/4885

“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.