SCHEMBL692706

SCHEMBL692706

CCCCCCc1cc(CCCCCC)c(C)c(CCCCCC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.55
CYP3A4 P08684 3/20 0.52
TYR P14679 2/20 0.47
GPR84 Q9NQS5 2/20 0.46
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
TP53 P04637 2/20 0.45
HTT P42858 2/20 0.45
TLR8 Q9NR97 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SHBG P04278 1/20 0.45
HSPD1 P10809 1/20 0.45
ADRB3 P13945 1/20 0.45

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
SCHEMBL1671839 1.00 PTGS2 (0.55) PTGS2CYP3A4TYRGPR84ESR1
SCHEMBL6560508 0.91 HPGD (0.54) PTGS2CYP3A4TYRGPR84HTT
Toluene SCHEMBL571314 0.88 KCNH2 (0.45) PTGS2CYP3A4TYRHTTKDM4E
Toluene SCHEMBL250483 0.88 KCNH2 (0.45) PTGS2CYP3A4TYRHTTKDM4E
Hydrochloric Acid SCHEMBL29624926 0.81 PTGS2 (0.46) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL7628223 0.81 PTGS2 (0.70) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL9122379 0.81 PTGS2 (0.70) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL8560359 0.81 PTGS2 (0.70) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL14003767 0.81 PTGS2 (0.53) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL202874 0.81 PTGS2 (0.64) PTGS2CYP3A4TYRESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117642483-A Compound, liquid crystal composition, and liquid crystal display element, sensor, liquid crystal lens, optical communication device, and antenna using the same DIC株式会社 2024-03-01 CN disclosed
CN-116964176-A Compound, liquid crystal composition, and liquid crystal display element, sensor, liquid crystal lens, optical communication device, and antenna using same DIC株式会社 2023-10-27 CN disclosed
CN-110997608-B Dihydroxybiphenyl compound, bisphosphite compound, catalyst, method for producing aldehydes, and method for producing alcohols 三菱化学株式会社 2023-07-25 CN disclosed
WO-2023032466-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AND SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION DEVICE, ANTENNA, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAID LIQUID CRYSTAL COMPOSITION DIC株式会社 2023-03-09 WO disclosed
CN-115724853-A Sensitizing dye, sensitizing dye composition for photoelectric conversion, photoelectric conversion element, and dye-sensitized solar cell 保土谷化学工业株式会社 2023-03-03 CN disclosed
US-20220216422-A1 Electroluminescent Device UDC IRELAND LTD (IE) 2022-07-07 US disclosed
EP-3674282-B1 BISPHOSPHITE COMPOUND, CATALYST, PRODUCTION METHOD OF ALDEHYDES, AND PRODUCTION METHOD OF ALCOHOL MITSUBISHI CHEM CORP (JP) 2021-09-22 EP disclosed
US-10793497-B2 Dihydroxybiphenyl compound, bisphosphite compound, catalyst, production method of aldehydes, and production method of alcohol MITSUBISHI CHEMICAL CORPORATION (JP) 2020-10-06 US disclosed
EP-3674282-A1 DIHYDROXYBIPHENYL COMPOUND, BISPHOSPHITE COMPOUND, CATALYST, METHOD FOR PRODUCING ALDEHYDES, AND METHOD FOR PRODUCING ALCOHOL Mitsubishi Chemical Corporation (JP) 2020-07-01 EP disclosed
US-20200181048-A1 DIHYDROXYBIPHENYL COMPOUND, BISPHOSPHITE COMPOUND, CATALYST, PRODUCTION METHOD OF ALDEHYDES, AND PRODUCTION METHOD OF ALCOHOL MITSUBISHI CHEMICAL CORPORATION (JP) 2020-06-11 US disclosed
US-5709911-A Polymerizable compound and liquid crystal display device using the same SHARP KABUSHIKI KAISHA (JP) 1998-01-20 US disclosed
US-5707768-A ELECTROCONDUCTIVE SUBSTRATE HAVING A PHOTOSENSITIVE LAYER CONTAINING A BINDER RESIN, A CHARGE GENERATING MATERIAL OR A SENSITIZING DYE AND A DIAMINE COMPOUND THEREON HODOGAYA CHEMICAL CO., LTD. (JP) 1998-01-13 US disclosed
US-5607890-A Supported Lewis acid catalysts derived from superacids useful for hydrocarbon conversion reactions EXXON CHEMICAL PATENTS INC. (US) 1997-03-04 US disclosed
EP-0752912-A1 SUPPORTED LEWIS ACID CATALYSTS DERIVED FROM SUPERACIDS USEFUL FOR HYDROCARBON CONVERSION REACTIONS EXXON CHEMICAL PATENTS INC. (US) 1997-01-15 EP disclosed
EP-0752916-A1 SUPPORTED LEWIS ACID CATALYSTS FOR HYDROCARBON CONVERSION REACTIONS EXXON CHEMICAL PATENTS INC. (US) 1997-01-15 EP disclosed
EP-0467260-B1 Mesomorphic compound and liquid crystal composition containing same for use in liquid crystal device and display apparatus CANON KK (JP) 1996-10-16 EP disclosed
WO-1995026814-A1 SUPPORTED LEWIS ACID CATALYSTS DERIVED FROM SUPERACIDS USEFUL FOR HYDROCARBON CONVERSION REACTIONS EXXON CHEMICAL PATENTS INC. (US) 1995-10-12 WO disclosed
WO-1995026818-A1 SUPPORTED LEWIS ACID CATALYSTS FOR HYDROCARBON CONVERSION REACTIONS EXXON CHEMICAL PATENTS INC. (US) 1995-10-12 WO disclosed
EP-0666262-A1 Optically active compound, liquid crystal containing the same, liquid crystal device and display method using the same CANON KABUSHIKI KAISHA (JP) 1995-08-09 EP disclosed
EP-0467260-A2 Mesomorphic compound and liquid crystal composition containing same for use in liquid crystal device and display apparatus CANON KABUSHIKI KAISHA (JP) 1992-01-22 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 (3 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-20200181048-A1 DIHYDROXYBIPHENYL COMPOUND, BISPHOSPHITE COMPOUND, CATALYST, PRODUCTION METHOD OF ALDEHYDES, AND PRODUCTION METHOD OF ALCOHOL ADH1A, ADH1C, DERA PTGS2 2360/4885CYP3A4 56/4885TYR 1333/4885
US-10793497-B2 Dihydroxybiphenyl compound, bisphosphite compound, catalyst, production method of aldehydes, and production method of alcohol ADH1A, ADH1C, DERA PTGS2 2360/4885CYP3A4 56/4885TYR 1333/4885
US-20220216422-A1 Electroluminescent Device PNPO, ODC1, AXL PTGS2 4350/4885CYP3A4 2357/4885TYR 10/4885

“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.