SCHEMBL2175777

SCHEMBL2175777

[Li]CCCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
THRB P10828 1/20 0.61
DNM1 Q05193 7/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC22A1 O15245 1/20 0.44
EPHX1 P07099 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
SCHEMBL117309 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL11695805 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL2341027 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL2178335 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL50789 1.00
SCHEMBL4195383 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
Hexane SCHEMBL25218797 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5974474 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL10320275 1.00 TSHR (0.61) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL134259 1.00

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103172807-B Process for the preparation of 1,3-butadiene and styrene copolymer LANXESS ELASTOMEROS DO BRASIL S A 2015-07-01 CN claimed
CN-103172807-A Process for the preparation of 1,3-butadiene and styrene copolymer PETROFLEX IND E COM S A 2013-06-26 CN claimed
CN-101903409-A Process for preparing a copolymer of 1, 3-butadiene and styrene containing random segments in its main chain, followed by a block having a structure different from that of the main chain, the block being homopolymeric or copolymeric, functionalized, and the product thus obtained LANXESS ELASTOMEROS DO BRASIL 2010-12-01 CN claimed
EP-4631936-A1 5-(2-BUTYL-1,3-DIOXOLAN-2-YL)-1-METHYLPENTYL ACETATE AND PROCESS FOR PREPARING 2,7-DIACETOXYUNDECANE THEREFROM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-10-15 EP disclosed
US-20250313543-A1 5-(2-BUTYL-1,3-DIOXOLAN-2-YL)-1-METHYLPENTYL ACETATE AND PROCESS FOR PREPARING 2,7-DIACETOXYUNDECANE THEREFROM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-10-09 US disclosed
EP-4530281-A1 8-(ACYLOXY)ALKANAL COMPOUND, PROCESS FOR PREPARING THE SAME AND PROCESS FOR PREPARING 2,9-DIACETOXYUNDECANE FROM THE 8-(ACYLOXY)ALKANAL COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-04-02 EP disclosed
US-20250084028-A1 8-(ACYLOXY)ALKANAL COMPOUND, PROCESS FOR PREPARING THE SAME AND PROCESS FOR PREPARING 2,9-DIACETOXYUNDECANE FROM THE 8-(ACYLOXY)ALKANAL COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-03-13 US disclosed
CN-119569571-A 8- (Acyloxy) alkanal compound, process for producing the same, and process for producing 2, 9-diacetoxy undecane from the 8- (acyloxy) alkanal compound 信越化学工业株式会社 2025-03-07 CN disclosed
US-20240409480-A1 HALOALKYL ALKOXYMETHYL ETHER COMPOUND, AND PROCESS FOR PREPARING 4,6,8,10,16-PENTAMETHYLDOCOSANE THEREFROM AND FOR PREPARING SYNTHETIC INTERMEDIATE THEREFOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-12-12 US disclosed
US-20240400484-A1 HALOALKYL ALKOXYMETHYL ETHER COMPOUND, AND PROCESS FOR PREPARING 13,15-DIMETHYLHEPTACOSANE THEREFROM AND FOR PREPARING SYNTHETIC INTERMEDIATE THEREFOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-12-05 US disclosed
CN-119059888-A Haloalkyl oxymethyl ether compounds, process for preparing 13, 15-dimethylheptadecane therefrom and process for preparing synthetic intermediates thereof 信越化学工业株式会社 2024-12-03 CN disclosed
EP-0170606-A1 Tire with tread rubber containing medium vinyl polybutadiene with clay and carbon black THE GOODYEAR TIRE & RUBBER COMPANY (US) 1986-02-05 EP disclosed
EP-0156755-A2 Pneumatic tire with tread of medium vinyl polybutadiene/rubber blend THE GOODYEAR TIRE & RUBBER COMPANY (US) 1985-10-02 EP disclosed
US-4530959-A Blend containing polyisoprene THE GOODYEAR TIRE & RUBBER COMPANY (US) 1985-07-23 US disclosed
US-4522970-A USING 3,31-BIS(TRIMETHOXYSILYL PROPYL) POLYSULFIDE AS COUPLER FOR CLAY THE GOODYEAR TIRE & RUBBER COMPANY (US) 1985-06-11 US disclosed
EP-0074326-A1 Pneumatic tire with tread of medium vinyl polybutadiene/rubber blend THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-03-16 EP disclosed
US-4367343-A Synthesis of tetraalkylsilanes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1983-01-04 US disclosed
US-4315032-A ANTITHROMBOGENIC AGENTS, ANTIULCER AGENTS TEITIN LIMITED (JP) 1982-02-09 US disclosed
EP-0019475-A2 Process for preparing adjacently disubstituted ketones, novel prostaglandins E1 and anti-thrombotic compositions containing them TEIJIN LIMITED (JP) 1980-11-26 EP disclosed
US-4139717-A 1,3-Dicarbonyl compounds TEIJIN LIMITED (JP) 1979-02-13 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 (4 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-20250084028-A1 8-(ACYLOXY)ALKANAL COMPOUND, PROCESS FOR PREPARING THE SAME AND PROCESS FOR PREPARING 2,9-DIACETOXYUNDECANE FROM THE 8-(ACYLOXY)ALKANAL COMPOUND CUL1, UBA1, UBE2E1 TSHR 4642/4885THRB 4372/4885DNM1 957/4885
US-20250313543-A1 5-(2-BUTYL-1,3-DIOXOLAN-2-YL)-1-METHYLPENTYL ACETATE AND PROCESS FOR PREPARING 2,7-DIACETOXYUNDECANE THEREFROM MSMO1, NOTUM, WEE1 TSHR 4292/4885THRB 3693/4885DNM1 2697/4885
US-20240400484-A1 HALOALKYL ALKOXYMETHYL ETHER COMPOUND, AND PROCESS FOR PREPARING 13,15-DIMETHYLHEPTACOSANE THEREFROM AND FOR PREPARING SYNTHETIC INTERMEDIATE THEREFOR CYP51A1, CYP4Z1, WEE1 TSHR 2956/4885THRB 3862/4885DNM1 2891/4885
US-20240409480-A1 HALOALKYL ALKOXYMETHYL ETHER COMPOUND, AND PROCESS FOR PREPARING 4,6,8,10,16-PENTAMETHYLDOCOSANE THEREFROM AND FOR PREPARING SYNTHETIC INTERMEDIATE THEREFOR WEE1, CYP51A1, CYP4Z1 TSHR 4093/4885THRB 4409/4885DNM1 1947/4885

“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.