SCHEMBL1053969

SCHEMBL1053969

Cc1cccc(C(C)c2cccc(C)c2C)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
ADRA2A P08913 4/20 0.55
ADRA2B P18089 4/20 0.55
ADRA2C P18825 4/20 0.55
CYP1A2 P05177 4/20 0.55
ADRA1A P35348 3/20 0.55
ADRA1B P35368 3/20 0.55
CYP3A4 P08684 3/20 0.55
ADRA1D P25100 2/20 0.55
KCNH2 Q12809 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
TP53 P04637 1/20 0.55
CYP2C19 P33261 1/20 0.55
SLC6A2 P23975 2/20 0.53
HTR7 P34969 1/20 0.53
TRPA1 O75762 2/20 0.46
ATM Q13315 1/20 0.46
ESR1 P03372 1/20 0.42
CYP2A6 P11509 1/20 0.41

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
SCHEMBL10487817 0.93 ADRA2A (0.50) TSHRADRA2AADRA2BADRA2CCYP1A2
SCHEMBL11301017 0.91 TSHR (0.49) TSHRADRA2AADRA2BADRA2CCYP1A2
Acetone SCHEMBL9668689 0.89 ADRA2A (0.47) TSHRADRA2AADRA2BADRA2CCYP1A2
Cyanate SCHEMBL10900805 0.87 ADRA2A (0.46) TSHRADRA2AADRA2BADRA2CCYP1A2
SCHEMBL196657 0.86 TSHR (0.50) TSHRADRA2AADRA2BADRA2CCYP1A2
SCHEMBL5605956 0.85 ADRA2A (0.45) TSHRADRA2AADRA2BADRA2CCYP1A2
SCHEMBL29358402 0.84 ADRA2A (0.47) TSHRADRA2AADRA2BADRA2CCYP1A2
SCHEMBL115911 0.84 ADRA2A (0.47) TSHRADRA2AADRA2BADRA2CCYP1A2
SCHEMBL629239 0.83 TRPA1 (0.46) TSHRADRA2AADRA2BADRA2CCYP1A2
Diphenylmethane SCHEMBL10899653 0.83 CALM1 (0.46) TSHRADRA2AADRA2BADRA2CCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787965-B2 Ink composition for forming an organic layer of a semiconductor NOVALED GMBH (DE) 2023-10-17 US claimed
EP-3382770-B1 INK COMPOSITION FOR FORMING AN ORGANIC LAYER OF A SEMICONDUCTOR NOVALED GMBH (DE) 2023-09-20 EP claimed
CN-106905766-B Ink composition 精工爱普生株式会社 2021-07-16 CN claimed
CN-111218258-B Phase change energy storage material with hysteresis and preparation method thereof 湖北大学 2021-06-01 CN claimed
EP-3168269-B1 INK COMPOSITION SEIKO EPSON CORP (JP) 2020-10-28 EP claimed
CN-111218258-A Phase change energy storage material with hysteresis and preparation method thereof 湖北大学 2020-06-02 CN claimed
US-20200032093-A1 Ink Composition for Forming an Organic Layer of a Semiconductor NOVALED GMBH (DE) 2020-01-30 US claimed
US-10125282-B2 Ink composition SEIKO EPSON CORPORATION (JP) 2018-11-13 US claimed
EP-3382770-A1 INK COMPOSITION FOR FORMING AN ORGANIC LAYER OF A SEMICONDUCTOR Novaled GmbH (DE) 2018-10-03 EP claimed
US-20170137651-A1 INK COMPOSITION SEIKO EPSON CORPORATION (JP) 2017-05-18 US claimed
EP-0349136-A1 Electrically insulating fluids SYBRON CHEMICALS INC (US) 1990-01-03 EP claimed
US-4873611-A DITOLYLMETHANE AS BIODEGRADABLE DIELECTRIC FLUID IN CAPACITOR SYBRON CHEMICALS, INC. (US) 1989-10-10 US claimed
US-4867905-A HYDROCARBON SOLVENT BECKMAN INSTRUMENTS, INC. (US) 1989-09-19 US claimed
EP-0281784-A1 Perfluoro-1,1-di(orthoxylyl) alkyl compounds AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-09-14 EP claimed
US-4684738-A Process for producing benzophenone tetracarboxylic dianhydride JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1987-08-04 US claimed
US-4431578-A USING A DIELECTRIC SILICONE-BASED FLUID HAVING A SPECIFIC GRAVITY DOW CORNING CORPORATION (US) 1984-02-14 US claimed
US-4390194-A DYE-PRECURSOR IN SOLVENT MIXTURE OF 1-METHYL-3-PHENYLINDANE AND A DIARYLALKANE NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1983-06-28 US claimed
EP-0080704-A1 Silicone compositions for buried electrical splice closures DOW CORNING CORPORATION (US) 1983-06-08 EP claimed
US-4336342-A FURAN RESINS ASHLAND OIL, INC. (US) 1982-06-22 US claimed
US-4081587-A PROCESS FOR THE MANUFACTURE OF ETHYLENE-ACRYLIC ACID COPOLYMERS GULF OIL CORPORATION (US) 1978-03-28 US claimed