SCHEMBL1172873

SCHEMBL1172873

OBO.c1ccc2cscc2c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.39
ALOX12 P18054 1/20 0.39
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2B6 P20813 1/20 0.31
CYP1A2 P05177 2/20 0.31

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
SCHEMBL51694 0.87
SCHEMBL240787 0.87
Boric Acid SCHEMBL30102650 0.82 CYP2A6 (0.39) CYP2A6ALOX12ALDH1A1TSHRHSD17B10
Bromide SCHEMBL29262820 0.81 CYP2A6 (0.44) CYP2A6ALOX12ALDH1A1TSHRHSD17B10
Formaldehyde SCHEMBL28853578 0.79 CYP2A6 (0.41) CYP2A6ALOX12ALDH1A1TSHRHSD17B10
Naphthalene SCHEMBL215802 0.77 CYP2A6 (0.67) CYP2A6ALOX12ALDH1A1TSHRHSD17B10
SCHEMBL29262819 0.77 CYP2A6 (0.39) CYP2A6ALOX12ALDH1A1TSHRHSD17B10
Acetic Acid SCHEMBL8196779 0.76 CES2 (0.41) CYP2A6ALDH1A1TSHRHSD17B10TDP1
Naphthalene SCHEMBL28499343 0.74 CYP2A6 (0.61) CYP2A6ALOX12ALDH1A1TSHRHSD17B10
SCHEMBL440327 0.73 ALDH1A1 (0.42) CYP2A6ALOX12ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12622134-B2 Organic electroluminescent device, and electronic apparatus HODOGAYA CHEMICAL CO., LTD. (JP) 2026-05-05 US disclosed
US-20240179930-A1 ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS HODOGAYA CHEMICAL CO., LTD. (JP) 2024-05-30 US disclosed
CN-117247362-B Light conversion agent with asymmetric structure, light conversion adhesive film and preparation method thereof 常州百佳年代薄膜科技股份有限公司 2024-02-13 CN disclosed
CN-117247362-A Light conversion agent with asymmetric structure, light conversion adhesive film and preparation method thereof 常州百佳年代薄膜科技股份有限公司 2023-12-19 CN disclosed
CN-111133600-B Compound for organic photoelectric element, organic photoelectric element and display device 三星SDI株式会社 2023-11-21 CN disclosed
WO-2022191256-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC EQUIPMENT THEREFOR 保土谷化学工業株式会社 2022-09-15 WO disclosed
US-9359393-B2 Photoresponsive nucleic acid manufacturing method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2016-06-07 US disclosed
EP-2655344-B1 NOVEL PHENAZINE DERIVATIVES AND THEIR USE UNIV CATHOLIQUE LOUVAIN (BE) 2015-11-25 EP disclosed
US-9181265-B2 Substituted 2,3-dihydro-1H-benzo[a]pyrano[2,3-c]phenazines as anti-angiogenic and anti-cancer agents UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2015-11-10 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
US-7592363-B2 Indazoles WYETH (US) 2009-09-22 US disclosed
US-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2009-02-19 US disclosed
US-20070232628-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2007-10-04 US disclosed
EP-1784400-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-16 EP disclosed
EP-1773781-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES Wyeth (US) 2007-04-18 EP disclosed
EP-1742924-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-17 EP disclosed
WO-2006023462-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-03-02 WO disclosed
WO-2006017384-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES WYETH (US) 2006-02-16 WO disclosed
US-20060030612-A1 Indazoles useful in treating cardiovascular diseases WYETH (US) 2006-02-09 US disclosed
WO-2005108376-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-11-17 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 (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-20060030612-A1 Indazoles useful in treating cardiovascular diseases NR1H2, NR1H3, CYP46A1 CYP2A6 182/4885ALOX12 347/4885ALDH1A1 483/4885
US-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 CYP2A6 2285/4885ALOX12 2451/4885ALDH1A1 2678/4885
US-12622134-B2 Organic electroluminescent device, and electronic apparatus KCNN1, KCNN2, ITGA1 CYP2A6 1953/4885ALOX12 1377/4885ALDH1A1 665/4885
US-20070232628-A1 Calcilytic Compounds SOST, CALCB, CALCR CYP2A6 4118/4885ALOX12 2836/4885ALDH1A1 4747/4885

“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.