SCHEMBL618635

SCHEMBL618635

COc1c(Br)cccc1C(C)C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRB2 P47870 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 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
SCHEMBL5548772 0.84 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL3065896 0.84 KMT2A (0.36) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL32681778 0.84 KMT2A (0.36) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL29731059 0.84 KMT2A (0.36) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL23526102 0.84 CYP1A2 (0.41) CYP1A2CYP3A4LMNA
SCHEMBL23526103 0.84 CYP1A2 (0.41) CYP1A2CYP3A4LMNA
SCHEMBL30013986 0.84 CYP1A2 (0.41) CYP1A2CYP3A4LMNA
SCHEMBL1680252 0.84 KMT2A (0.36) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL1302413 0.82 NQO2 (0.36) CYP3A4CA2NQO2MEN1CYP2C9
SCHEMBL364729 0.79 ALDH1A1 (0.46) CA1CA2TSHRNQO2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248535-B Sila 1, 3-diether compound, preparation method thereof, olefin polymerization catalyst and olefin polymerization method 国家能源集团宁夏煤业有限责任公司 2022-07-26 CN claimed
CN-113248535-A Sila 1, 3-diether compound, preparation method thereof, olefin polymerization catalyst and olefin polymerization method 国家能源集团宁夏煤业有限责任公司 2021-08-13 CN claimed
CN-117049961-A Yeast dehydrogenase inhibitor derivative and synthesis method thereof 苏州君叶生物医药科技有限公司 2023-11-14 CN disclosed
US-11702418-B2 SOS1 inhibitors Mirati Therapeutics, Inc. (US) 2023-07-18 US disclosed
CN-113214415-B Composite external electron donor, olefin polymerization catalyst and application thereof, and polyolefin and preparation method thereof 国家能源集团宁夏煤业有限责任公司 2022-07-26 CN disclosed
CN-113248535-B Sila 1, 3-diether compound, preparation method thereof, olefin polymerization catalyst and olefin polymerization method 国家能源集团宁夏煤业有限责任公司 2022-07-26 CN disclosed
CN-113214416-B Combined external electron donor, olefin polymerization catalyst and application thereof, and polyolefin and preparation method thereof 国家能源集团宁夏煤业有限责任公司 2022-07-26 CN disclosed
CN-113087826-B External electron donor composition, olefin polymerization catalyst and application thereof, and polyolefin and preparation method thereof 国家能源集团宁夏煤业有限责任公司 2022-07-26 CN disclosed
CN-113248535-A Sila 1, 3-diether compound, preparation method thereof, olefin polymerization catalyst and olefin polymerization method 国家能源集团宁夏煤业有限责任公司 2021-08-13 CN disclosed
CN-113214415-A Composite external electron donor, olefin polymerization catalyst and application thereof, and polyolefin and preparation method thereof 国家能源集团宁夏煤业有限责任公司 2021-08-06 CN disclosed
CN-113214416-A Combined external electron donor, olefin polymerization catalyst and application thereof, and polyolefin and preparation method thereof 国家能源集团宁夏煤业有限责任公司 2021-08-06 CN disclosed
US-20090326175-A1 ARYLPHENOXY CATALYST SYSTEM FOR PRODUCING ETHYLENE HOMOPOLYMER OR COPOLYMERS OF ETHYLENE AND a-OLEFINS SK ENERGY CO., LTD. (KR) 2009-12-31 US disclosed
US-7589042-B2 Arylphenoxy catalyst system for producing ethylene homopolymer or copolymers of ethylene and α-olefins SK CORPORATION (KR) 2009-09-15 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
WO-2009031798-A2 ETHYLENE COPOLYMER HAVING MULTIPLE PITCH IN MOLECULAR WEIGHT DISTRIBUTION AND THE METHOD OF PREPARING THE SAME SK ENERGY CO., LTD. (KR) 2009-03-12 WO disclosed
EP-1910427-A1 ARYLPHENOXY CATALYST SYSTEM FOR PRODUCING ETHYLENE HOMOPOLYMER OR COPOLYMERS OF ETHYLENE AND ALPHA-OLEFINS SK Energy Co., Ltd. (KR) 2008-04-16 EP disclosed
US-20070135297-A1 ARYLPHENOXY CATALYST SYSTEM FOR PRODUCING ETHYLENE HOMOPOLYMER OR COPOLYMERS OF ETHYLENE AND a-OLEFINS SK CORPORATION (KR) 2007-06-14 US disclosed
WO-2007040294-A1 ARYLPHENOXY CATALYST SYSTEM FOR PRODUCING ETHYLENE HOMOPOLYMER OR COPOLYMERS OF ETHYLENE AND ALPHA-OLEFINS SK ENERGY CO., LTD. (KR) 2007-04-12 WO disclosed
US-20070004586-A1 Arylphenoxy catalyst system for producing ethylene homopolymer or copolymers of ethylene and alpha-olefins SK CORPORATION (KR) 2007-01-04 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 (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-20090326175-A1 ARYLPHENOXY CATALYST SYSTEM FOR PRODUCING ETHYLENE HOMOPOLYMER OR COPOLYMERS OF ETHYLENE AND a-OLEFINS ESR1, ERO1A, PPOX GABRA1 2919/4885GABRG2 2198/4885GABRB3 2572/4885
US-11702418-B2 SOS1 inhibitors SOS1, SOS2, SOST GABRA1 3926/4885GABRG2 3990/4885GABRB3 3976/4885

“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.