SCHEMBL4808650

SCHEMBL4808650

CC(C)c1ccccc1Sc1ccccc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.48
GABRB2 P47870 2/20 0.48
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
FAAH O00519 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GABRB1 P18505 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
HTR2B P41595 1/20 0.44
GABRA2 P47869 1/20 0.44

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
SCHEMBL30389926 1.00 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL4800273 0.89 HTR1A (0.41) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL2888693 0.86 GABRA1 (0.41) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL944019 0.84 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL24499263 0.82 APOBEC3G (0.52) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL5594562 0.82 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL5318161 0.81 L3MBTL1 (0.46) GABRA1GABRB2CYP1A2CYP3A4HPGD
SCHEMBL4143745 0.80 P2RX7 (0.37) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL588784 0.80 GABRA1 (0.39) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL587834 0.80 GABRA1 (0.34) GABRA1GABRB2GABRG2GABRB3FAAH

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103787802-B One class arylalkyl thioethers compound and synthetic method thereof EAST CHINA NORMAL UNIVERSITY (CN) 2015-08-19 CN disclosed
CN-103787802-A Aryl alkyl thioether compounds and synthesis method thereof UNIV EAST CHINA NORMAL 2014-05-14 CN disclosed
US-7323608-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-01-29 US disclosed
US-7323608-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-01-29 US disclosed
US-7323608-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-01-29 US disclosed
EP-1534671-A4 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2007-10-24 EP disclosed
US-20050250959-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-10 US disclosed
CN-1684944-A method for copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY (US) 2005-10-19 CN disclosed
EP-1534671-A2 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-06-01 EP disclosed
US-6888032-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-05-03 US disclosed
US-20040138468-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-07-15 US disclosed
WO-2004013094-A2 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-12 WO disclosed
US-5164514-A Antispasmodics ROUSSEL UCLAF (FR) 1992-11-17 US disclosed
US-5081130-A Antispasmodic agents ROUSSEL UCLAF (FR) 1992-01-14 US disclosed
US-4990531-A Antispasmodic agents ROUSSEL UCLAF (FR) 1991-02-05 US disclosed
EP-0003913-B1 PESTICIDALLY ACTIVE BENZOPHENONE HYDRAZONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PESTICIDAL COMPOSITIONS AND METHODS FBC LIMITED (GB) 1984-05-02 EP disclosed
US-4394387-A INSECTICIDES, MITICIDES THE BOOTS COMPANY PLC (GB) 1983-07-19 US disclosed
US-4344893-A SUBSTITUTED BENZOPHENONE HYDRAZONES THE BOOTS COMPANY LIMITED (GB) 1982-08-17 US disclosed
EP-0003913-A1 Pesticidally active benzophenone hydrazone derivatives, methods for their production and pesticidal compositions and methods FBC LIMITED (GB) 1979-09-05 EP 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-20050250959-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds CBR3, TST, CBS GABRA1 2529/4885GABRB2 2102/4885GABRG2 2348/4885
US-20040138468-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds CBR3, TST, CBS GABRA1 2503/4885GABRB2 2125/4885GABRG2 2375/4885

“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.