SCHEMBL3246544

SCHEMBL3246544

CC([CH]c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.45
TAAR1 Q96RJ0 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR2A P28223 2/20 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
SCHEMBL15515987 0.85 NFE2L2 (0.48) TRPA1CYP2D6
SCHEMBL10768077 0.82 TRPA1 (0.55) TRPA1LMNAKDM4E
SCHEMBL10482798 0.78 RELA (0.50) TDP1LMNAKDM4E
SCHEMBL1760765 0.76 CYP1A2 (0.52) TRPA1TDP1HTR2A
SCHEMBL1760762 0.76 CYP1A2 (0.52) TRPA1TDP1HTR2A
SCHEMBL315078 0.76 HTR2A (0.41) TDP1LMNAHTR2A
SCHEMBL9325711 0.76 TRPA1 (0.50) TRPA1TAAR1ADRA2AADRA2CCYP2D6
SCHEMBL9747201 0.75 TDP1 (0.36) TAAR1TDP1ADRA2AADRA2CCYP2D6
SCHEMBL7366231 0.74 ALDH1A1 (0.39) TAAR1CYP2D6LMNAKDM4EHTR2A
SCHEMBL21331657 0.74 TRPA1 (0.50) TRPA1TAAR1ADRA2AADRA2CCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 EP claimed
EP-0236138-B1 DIHYDROPYRAN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-08-07 EP claimed
US-4696964-A HEAT RESISTANCE, OXIDATION RESISTANCE CIBA-GEIGY CORPORATION (US) 1987-09-29 US claimed
EP-0214102-A2 5-Aralkyl-substituted 2H-benzotriazoles and stabilized compositions CIBA-GEIGY AG (CH) 1987-03-11 EP claimed
EP-0125092-A1 Bisbiguanide compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-14 EP claimed
US-4419490-A GROUP 8 METAL HEYL & CO. CHEMISCH-PHARMAZEUTISCHE FABRIK (DE) 1983-12-06 US claimed
CN-108026241-B Molded article and polymerizable composition for optical material 三井化学株式会社 2021-11-19 CN disclosed
EP-2589643-B1 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME SK CHEMICALS CO LTD (KR) 2017-09-20 EP disclosed
US-9142784-B2 Highly efficient carbazole-based compound, and organic electroluminescence device comprising same SK CHEMICALS CO., LTD. (KR) 2015-09-22 US disclosed
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 EP disclosed
US-20130119367-A1 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME INDUSTRY ACADEMIC COOPERATION FOUNDATION, DANKOOK UNIVERSITY (KR) 2013-05-16 US disclosed
EP-2589643-A2 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME Industry-Academic Cooperation Foundation, Dankook University (KR) 2013-05-08 EP disclosed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 US disclosed
EP-0327409-A2 Developer composition THE MEAD CORPORATION (US) 1989-08-09 EP disclosed
EP-0214935-A2 Sterically hindered silicon ester stabilizers CIBA-GEIGY AG (CH) 1987-03-18 EP disclosed
EP-0214102-A2 5-Aralkyl-substituted 2H-benzotriazoles and stabilized compositions CIBA-GEIGY AG (CH) 1987-03-11 EP disclosed
US-4588771-A Stabilized thiofunctional polysiloxane fluids and a process for stabilizing the same SWS SILICONES CORPORATION (US) 1986-05-13 US disclosed
US-4490487-A SO3 /Imide adducts, process for their preparation and their use as sulphonating agents BAYER AKTIENGESELLSCHAFT (DE) 1984-12-25 US disclosed
EP-0086917-A1 Heterocyclic compounds useful as pesticides and processes for making them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-31 EP disclosed
US-4191829-A LIGHT STABILIZERS CIBA-GEIGY CORPORATION (US) 1980-03-04 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 (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-20130119367-A1 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME PPIP5K2, INPP5B, EZH2 TRPA1 1221/4885TAAR1 4528/4885TDP1 3512/4885

“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.