SCHEMBL9951376

SCHEMBL9951376

CCCn1c(C)cnc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 3/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
ADORA2A P29274 6/20 0.34
PDE4A P27815 5/20 0.34
PDE4B Q07343 5/20 0.34
PDE4C Q08493 5/20 0.34
PDE4D Q08499 5/20 0.34
CYP3A4 P08684 5/20 0.34
ADORA2B P29275 3/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34

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
Bromide SCHEMBL28286963 0.98 ALDH1A1 (0.36) ALDH1A1MAPK1LMNATHRBTSHR
Iodide SCHEMBL28161167 0.98 ALDH1A1 (0.36) ALDH1A1MAPK1LMNATHRBTSHR
SCHEMBL13274470 0.87 ALDH1A1 (0.46) ALDH1A1MAPK1LMNATHRBTSHR
SCHEMBL28013292 0.84 ADORA2A (0.45) ALDH1A1TSHRKMT2APOLBADORA2A
SCHEMBL11531275 0.84 ADORA2A (0.45) ALDH1A1TSHRKMT2APOLBADORA2A
SCHEMBL27782619 0.84 ADORA2A (0.45) ALDH1A1TSHRKMT2APOLBADORA2A
SCHEMBL14756121 0.81
SCHEMBL6182712 0.80 LMNA (0.36) ALDH1A1MAPK1LMNATHRBTSHR
SCHEMBL7455961 0.80 LMNA (0.56) ALDH1A1MAPK1LMNATHRBTSHR
SCHEMBL28262066 0.79 PDE4A (0.35) ALDH1A1MAPK1TSHRADORA2APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104450020-B A kind of anti-extreme-pressure wear-resistant type chain drain oil compositions and preparation method thereof 宁波春蕊润滑油有限公司 2016-09-28 CN claimed
CN-105838350-A Electrochromic composite material and prepared electrochromic device 吉林大学 2016-08-10 CN claimed
US-8742168-B2 Process for the production of acetic acid LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2014-06-03 US claimed
US-8637699-B2 Process for the manufacture of acetic acid LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2014-01-28 US claimed
US-20120310009-A1 Process for the Production of Acetic Acid LYONDELL CHEMICAL COMPANY (US) 2012-12-06 US claimed
US-20120264971-A1 PROCESS FOR THE MANUFACTURE OF ACETIC ACID LYONDELLBASELL ACETYLS, LLC 2012-10-18 US claimed
CN-102024569-A Solar cell electrolyte and application thereof DALIAN HEPTACHROMA SOLARTECH CO LTD 2011-04-20 CN claimed
CN-100570900-C Be used for phosphoric acid ester electrolyte solvent of DSSC and uses thereof UNIV DALIAN TECH (CN) 2009-12-16 CN claimed
CN-101188252-A Ester phosphate electrolysis solvent for dye sensitization solar battery UNIV DALIAN TECH (CN) 2008-05-28 CN claimed
CN-113939522-B Organosilane, ionic organosilane, film composition and film 3M创新有限公司 2024-12-17 CN disclosed
EP-3983418-A1 ORGANOSILANE, IONIC ORGANOSILANE, MEMBRANE COMPOSITION, AND MEMBRANE 3M Innovative Properties Company (US) 2022-04-20 EP disclosed
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-04-07 US disclosed
CN-113939522-A Organosilane, ionic organosilane, film composition and film 3M创新有限公司 2022-01-14 CN disclosed
CN-110233063-A Advanced electrolyte system and use thereof in energy storage devices 快帽系统公司 2019-09-13 CN disclosed
US-20120161574-A1 ACTUATOR CANON KABUSHIKI KAISHA (JP) 2012-06-28 US disclosed
CN-101604578-B Electrolyte compositions ETERNAL CHEMICAL INDUSTRY CO LTD 2011-11-16 CN disclosed
CN-102024569-A Solar cell electrolyte and application thereof DALIAN HEPTACHROMA SOLARTECH CO LTD 2011-04-20 CN disclosed
CN-101604578-A Electrolyte compositions ETERNAL CHEMICAL INDUSTRY CO LTD (CN) 2009-12-16 CN disclosed
CN-100570900-C Be used for phosphoric acid ester electrolyte solvent of DSSC and uses thereof UNIV DALIAN TECH (CN) 2009-12-16 CN disclosed
CN-101188252-A Ester phosphate electrolysis solvent for dye sensitization solar battery UNIV DALIAN TECH (CN) 2008-05-28 CN 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 (3 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-20120264971-A1 PROCESS FOR THE MANUFACTURE OF ACETIC ACID DBI, IDH1, ACAD9 ALDH1A1 69/4885MAPK1 1836/4885LMNA 4496/4885
US-20120310009-A1 Process for the Production of Acetic Acid DBI, FLI1, ACADM ALDH1A1 52/4885MAPK1 1470/4885LMNA 3464/4885
US-20220106302-A1 ITRACONAZOLE ANALOGS AND USE THEREOF CYP3A4, SHH, GLI1 ALDH1A1 428/4885MAPK1 3835/4885LMNA 4875/4885

“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.