SCHEMBL4338963

SCHEMBL4338963

CCCn1cc(C)nc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TYR P14679 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP19A1 P11511 1/20 0.31
ADORA2A P29274 3/20 0.31
ADORA2B P29275 2/20 0.31
LMNA P02545 1/20 0.31
ADORA1 P30542 1/20 0.31
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
TLR8 Q9NR97 1/20 0.30
RPS6KB1 P23443 1/20 0.30
GSK3B P49841 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Iodide SCHEMBL669031 0.98 GRM5 (0.36) GRM5ALDH1A1TYRPOLBKMT2A
Bromide SCHEMBL29287564 0.98 GRM5 (0.36) GRM5ALDH1A1TYRPOLBKMT2A
Iodide SCHEMBL4352736 0.94 GRM5 (0.35) GRM5ALDH1A1TYRPOLBKMT2A
SCHEMBL4342786 0.87 ALDH1A1 (0.50) ALDH1A1TYRPOLBKMT2ATSHR
SCHEMBL20245453 0.85 ALDH1A1 (0.44) ALDH1A1POLBKMT2ATLR8
SCHEMBL19286106 0.84 TLR8 (0.43) ALDH1A1POLBKMT2ATLR8
SCHEMBL11534207 0.84 TLR8 (0.43) ALDH1A1POLBKMT2ATLR8
SCHEMBL2229403 0.84 TLR8 (0.43) ALDH1A1POLBKMT2ATLR8
Iodide SCHEMBL1308346 0.82 TLR8 (0.42) ALDH1A1POLBKMT2ATLR8
Trifluoromethanesulfonic Acid SCHEMBL4342193 0.82 ALDH1A1 (0.33) GRM5ALDH1A1TYRTSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114536915-B Alkali-resistant bipolar membrane with main chain fluorocarbon-ferrocene catalytic layer and preparation method thereof 福建师范大学 2023-05-23 CN claimed
CN-114536915-A Alkali-resistant bipolar membrane with main chain fluorocarbon-ferrocene catalyst layer and preparation method thereof 福建师范大学 2022-05-27 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-113939522-B Organosilane, ionic organosilane, film composition and film 3M创新有限公司 2024-12-17 CN disclosed
CN-114536915-B Alkali-resistant bipolar membrane with main chain fluorocarbon-ferrocene catalytic layer and preparation method thereof 福建师范大学 2023-05-23 CN disclosed
CN-114536915-A Alkali-resistant bipolar membrane with main chain fluorocarbon-ferrocene catalyst layer and preparation method thereof 福建师范大学 2022-05-27 CN disclosed
EP-3983418-A1 ORGANOSILANE, IONIC ORGANOSILANE, MEMBRANE COMPOSITION, AND MEMBRANE 3M Innovative Properties Company (US) 2022-04-20 EP disclosed
CN-107004511-A Photoelectric conversion element and method for manufacturing photoelectric conversion element 积水化学工业株式会社 2017-08-01 CN disclosed
EP-1709651-B1 METAL OXIDE DISPERSION, METAL OXIDE ELECTRODE FILM, AND DYE SENSITIZED SOLAR CELL SHOWA DENKO KK (JP) 2016-09-21 EP disclosed
EP-2903080-A1 PHOTOELECTRIC CONVERSION ELEMENT AND DYE-SENSITIZED SOLAR CELL FUJI-FILM Corporation (JP) 2015-08-05 EP disclosed
US-6965509-B2 Supercapacitor of PEDOT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2005-11-15 US disclosed
US-20050246888-A1 Using 1-ethyl-3-methyl-1H-imidazolium bis(trifluoromethylsulfonyl)imide (EMI-BTI) as organic electrolyte for charge storage devices, superchargers; high speed switching; longer cyclic lifetimes; PEDOT and poly(3,4-propylenedioxythiophene) (PProDOT) electrode couples; gel electrolyte layers with paper NAVY, SECRETARY OF THE AS REPRESENTED BY THE UNITED STATES OF AMERICA 2005-11-10 US disclosed
WO-2005100504-A1 NOVEL ELECTROCHROMIC MATERIALS AND DEVICES EASTMAN KODAK COMPANY (US) 2005-10-27 WO disclosed
US-6950220-B2 Electro-optic displays, and methods for driving same E INK CORPORATION (US) 2005-09-27 US disclosed
CN-1666377-A Solar cell FUJIKURA LTD (JP) 2005-09-07 CN disclosed
WO-2005071704-A2 METAL OXIDE DISPERSION, METAL OXIDE ELECTRODE FILM, AND DYE SENSITIZED SOLAR CELL SHOWA DENKO K.K. (JP) 2005-08-04 WO disclosed
US-20040106041-A1 gel electrolytes between electrodes are separated by a battery paper and are lithium salts and an organic electrolyte SECRETARY OF THE NAVY AS REPRESENTED BY THE UNITED STATES OF AMERICA 2004-06-03 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 (2 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 GRM5 3250/4885ALDH1A1 69/4885TYR 3046/4885
US-20120310009-A1 Process for the Production of Acetic Acid DBI, FLI1, ACADM GRM5 2796/4885ALDH1A1 52/4885TYR 2827/4885

“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.