SCHEMBL1970762

SCHEMBL1970762

[CH2]C(C)(C)C(C)(C)CCCCC

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
THRB P10828 1/20 0.37
FDPS P14324 11/20 0.34
GGPS1 O95749 7/20 0.34
SMPD1 P17405 2/20 0.32
CES2 O00748 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32

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
SCHEMBL29008176 0.97 TSHR (0.42) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL29006845 0.97 TSHR (0.42) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL1971851 0.92 TSHR (0.33) TSHRTHRBFDPS
SCHEMBL10893467 0.82 TSHR (0.47) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL27947144 0.79 TSHR (0.53) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL1972808 0.79
SCHEMBL18708717 0.78 TSHR (0.44) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL8897990 0.77 TSHR (0.41) TSHRTHRBFDPSGGPS1SMPD1
Octane SCHEMBL9281542 0.77 TSHR (0.50) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL15527 0.77 TSHR (0.41) TSHRTHRBFDPSGGPS1SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118103345-A Method for producing compound comprising isomerization step of alpha, beta-unsaturated ketone 花王株式会社 2024-05-28 CN disclosed
CN-117624254-A Preparation method of trimethoxy-containing asymmetric alpha-diimine nickel complex 桂林理工大学 2024-03-01 CN disclosed
CN-117279914-A SOS1 inhibitor and preparation method and application thereof 南京再明医药有限公司 2023-12-22 CN disclosed
CN-113912622-B Tricyclic pyrimidinone compounds, methods of making, compositions and uses thereof 上海纽思克生物科技有限公司 2023-12-01 CN disclosed
CN-115677528-A Method for separating rhenium and technetium 厦门稀土材料研究所 2023-02-03 CN disclosed
CN-112279757-B Perylene quinone compound and preparation method and application thereof 中国科学院化学研究所 2022-03-29 CN disclosed
US-11156619-B2 Fluorescent pH sensors and methods of preparing them ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-10-26 US disclosed
CN-108368129-B Modified macrocyclic compounds 拜耳医药股份有限公司 2021-08-17 CN disclosed
CN-111793052-A Benzoproline near-infrared fluorescent dye and preparation method and application thereof 中国科学院理化技术研究所 2020-10-20 CN disclosed
EP-3194371-B1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-09-02 EP disclosed
CN-107108518-A Antibacterial imidazolium compounds 新加坡科技研究局 2017-08-29 CN disclosed
EP-3194371-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS Agency for Science, Technology and Research (SG) 2017-07-26 EP disclosed
US-9469662-B2 Process for preparing optically active biophosphinylalkanes BASF SE (DE) 2016-10-18 US disclosed
WO-2016043660-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-03-24 WO disclosed
CN-101253183-B Process for preparing optically active diphosphanes BASF SE 2013-07-10 CN disclosed
EP-1913007-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2011-06-22 EP disclosed
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes BASF AKTIENGESELLSCHAFT (DE) 2008-10-02 US disclosed
CN-101253183-A Process for preparing optically active diphosphanes BASF SE (DE) 2008-08-27 CN disclosed
EP-1913007-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2008-04-23 EP disclosed
WO-2007012655-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2007-02-01 WO 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-11156619-B2 Fluorescent pH sensors and methods of preparing them PHF8, PHF6, H1-0 TSHR 4538/4885THRB 4016/4885FDPS 3404/4885
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes PHOSPHO1, DCTPP1, DCPS TSHR 4357/4885THRB 4195/4885FDPS 22/4885

“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.