SCHEMBL1971304

SCHEMBL1971304

[CH2]C(C)(C)CC(C)(C)CC

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10794688 0.78 TSHR (0.46) TSHRTDP1
SCHEMBL5995512 0.78 TSHR (0.33) TSHRTDP1
SCHEMBL13458323 0.76 TSHR (0.38) TSHRTDP1
SCHEMBL1973735 0.75
SCHEMBL10975 0.73
SCHEMBL1398293 0.73
SCHEMBL83728 0.73
SCHEMBL17607595 0.73 TSHR (0.35) TSHRTDP1
SCHEMBL6441329 0.73
SCHEMBL17607672 0.73 TSHR (0.35) TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112673009-B Substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2023-09-19 CN disclosed
CN-112771046-B Other substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2023-09-19 CN disclosed
US-11518756-B2 Arylation method UMICORE AG & CO. KG (DE) 2022-12-06 US disclosed
EP-3383861-B1 BUCHWALD-HARTWIG ARYLATION METHOD FOR THE PREPARATION OF TERTIARY AMINES UMICORE AG & CO KG (DE) 2021-03-17 EP disclosed
US-10570097-B2 Antimicrobial imidazolium compounds AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-02-25 US disclosed
US-20200031803-A1 ARYLATION METHOD UMICORE AG & CO. KG (DE) 2020-01-30 US disclosed
CN-105969543-B Flue dust cleaning agent after fire 江苏筑磊电子科技有限公司 2019-04-05 CN disclosed
US-20190016684-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-01-17 US disclosed
US-10160728-B2 Antimicrobial imidazolium compounds AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-12-25 US disclosed
EP-3060548-B1 MONO ARYLATION OF AROMATIC AMINES UMICORE AG & CO KG (DE) 2018-10-10 EP disclosed
US-9469662-B2 Process for preparing optically active biophosphinylalkanes BASF SE (DE) 2016-10-18 US disclosed
CN-105969543-A Smoke dust cleaning agent after fire hazards 江苏筑磊电子科技有限公司 2016-09-28 CN disclosed
EP-3060548-A1 MONOARYLATION OF AROMATIC AMINES Umicore AG & Co. KG (DE) 2016-08-31 EP disclosed
WO-2015059049-A1 MONOARYLATION OF AROMATIC AMINES UMICORE AG & CO. KG (DE) 2015-04-30 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 (6 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-10570097-B2 Antimicrobial imidazolium compounds CCNI, MACF1, ECI1 TSHR 3989/4885TDP1 4399/4885
US-10160728-B2 Antimicrobial imidazolium compounds CCNI, MACF1, ECI1 TSHR 3989/4885TDP1 4399/4885
US-20190016684-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 TSHR 3989/4885TDP1 4399/4885
US-11518756-B2 Arylation method AHR, ARNT, CYP2B6 TSHR 555/4885TDP1 3735/4885
US-20200031803-A1 ARYLATION METHOD AHR, ARNT, CYP2B6 TSHR 555/4885TDP1 3735/4885
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes PHOSPHO1, DCTPP1, DCPS TSHR 4357/4885TDP1 4215/4885

“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.