SCHEMBL3544339

SCHEMBL3544339

Cc1ccc(-c2cc[c]cc2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS2 P35354 3/20 0.32
ADORA3 P0DMS8 2/20 0.31
NISCH Q9Y2I1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2A6 P11509 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGS1 P23219 1/20 0.30
MAOB P27338 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
SCHEMBL2011911 0.83 ACHE (0.36) ACHEPTGS2ALDH1A1PTGS1
SCHEMBL28758791 0.83 ALDH1A1 (0.36) ALDH1A1CYP2A6MEN1NPC1RAB9A
SCHEMBL10939037 0.83 AHR (0.35) TDP1PTGS2ALDH1A1CYP2A6MEN1
SCHEMBL695298 0.83 ESR2 (0.44) ACHEALDH1A1CYP2A6NPC1RAB9A
SCHEMBL14480559 0.81
SCHEMBL3542668 0.80 ABL1 (0.42) ACHEPTGS2ALDH1A1KMT2A
SCHEMBL9988102 0.79 BACE1 (0.38) ACHETDP1PTGS2ALDH1A1MEN1
SCHEMBL28325875 0.79 ALDH1A1 (0.36) ACHETDP1PTGS2ALDH1A1NPC1
SCHEMBL5899213 0.79 HPGD (0.35) ACHETDP1PTGS2ALDH1A1CYP2A6
SCHEMBL29019397 0.79 PTGS2 (0.40) ACHETDP1PTGS2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313949-A1 DEHYDRATING AND DESALTING COMPOSITIONS OF CRUDE OILS, USING TRIBLOCK COPOLYMERS ALPHA,OMEGA-BIFUNCTIONALIZED WITH AMINES MEXICANO INST PETROL (MX) 2017-11-02 US claimed
EP-0030835-A1 Derivatives of 2-substituted-6-phenyl-3(2H)pyridazinone, their production and pharmaceutical compositions containing them MORISHITA PHARMACEUTICAL CO. LTD. (JP) 1981-06-24 EP claimed
US-20240122065-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN TOSOH CORPORATION (JP) 2024-04-11 US disclosed
EP-4342883-A1 PHOTOELECTRIC CONVERSION ELEMENT MATERIAL FOR IMAGING ELEMENT AND PHOTOELECTRIC CONVERSION ELEMENT FOR IMAGING ELEMENT Tosoh Corporation (JP) 2024-03-27 EP disclosed
CN-117440940-A Material for photoelectric conversion element for image pickup element and photoelectric conversion element for image pickup element 东曹株式会社 2024-01-23 CN disclosed
CN-110997648-B Condensed ring compound 东曹株式会社 2023-12-19 CN disclosed
CN-110740986-B Indane derivatives and their use in organic electronic devices 多蒂肯独家合成控股公司 2023-08-25 CN disclosed
EP-4198163-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN Tosoh Corporation (JP) 2023-06-21 EP disclosed
CN-116157382-A Material for metal patterning, amine compound, electronic device, and method for forming metal pattern 东曹株式会社 2023-05-23 CN disclosed
WO-2023078824-A1 SPIRO-(INDANE-FLUORENE) TYPE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2023-05-11 WO disclosed
WO-2023013697-A1 MATERIAL FOR METAL PATTERNING, FLUORO COMPOUND, THIN FILM FOR METAL PATTERNING, ORGANIC ELECTROLUMINESCENCE DEVICE, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN 東ソー株式会社 2023-02-09 WO disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
EP-1144381-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
WO-2000032577-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-08 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 (1 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-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 ACHE 1324/4885TDP1 2268/4885PTGS2 2971/4885

“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.