SCHEMBL819764

SCHEMBL819764

N#CCCCC(C#N)C#N

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LOX P28300 1/20 0.33
LOXL3 P58215 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 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
SCHEMBL819884 0.91 TSHR (0.42) TSHRALDH1A1TDP1LOXLOXL3
SCHEMBL16672479 0.88 TSHR (0.40) TSHRALDH1A1TDP1LOXLOXL3
SCHEMBL820789 0.88 TSHR (0.40) TSHRALDH1A1TDP1LOXLOXL3
SCHEMBL23700089 0.88 TSHR (0.40) TSHRALDH1A1TDP1LOXLOXL3
SCHEMBL23700073 0.88 TSHR (0.40) TSHRALDH1A1TDP1LOXLOXL3
SCHEMBL23700068 0.88 TSHR (0.40) TSHRALDH1A1TDP1LOXLOXL3
SCHEMBL820177 0.84
SCHEMBL819115 0.84 TSHR (0.37) TSHRALDH1A1TDP1
SCHEMBL21874813 0.83 TSHR (0.30) TSHR
SCHEMBL819370 0.83 TSHR (0.30) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117352695-A Lithium ion battery 珠海冠宇电池股份有限公司 2024-01-05 CN claimed
EP-2382241-B1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORP (JP) 2016-11-23 EP claimed
US-8785566-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2014-07-22 US claimed
JP-11116528-A None JP disclosed
JP-11130840-A None JP disclosed
US-12209184-B2 Asphalt additives ASCEND PERFORMANCE MATERIALS OPERATIONS LLC (US) 2025-01-28 US disclosed
CN-116194547-B Nitrile solvent 奥升德功能材料运营有限公司 2024-12-27 CN disclosed
US-12006493-B2 Nitrile solvents ASCEND PERFORMANCE MATERIALS OPERATIONS LLC (US) 2024-06-11 US disclosed
CN-117352695-A Lithium ion battery 珠海冠宇电池股份有限公司 2024-01-05 CN disclosed
US-20230407094-A1 ASPHALT ADDITIVES WITH MULTIPLE AMINES ASCEND PERFORMANCE MATERIALS OPERATIONS LLC (US) 2023-12-21 US disclosed
US-11830981-B2 Electrolyte and electrochemical device NINGDE AMPEREX TECHNOLOGY LIMITED (CN) 2023-11-28 US disclosed
WO-2010085631-A2 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-07-29 WO disclosed
EP-1456169-B1 PROCESS FOR PREPARING SUCCINONITRILE DSM IP ASSETS BV (NL) 2008-07-02 EP disclosed
US-7371884-B2 Process for preparing succinonitrile and use of succinonitrile DSM IP ASSETS B.V. (NL) 2008-05-13 US disclosed
US-20060229463-A1 Process for preparing succinonitrile DSM IP ASSETS B.V. (NL) 2006-10-12 US disclosed
EP-1456169-A1 PROCESS FOR PREPARING SUCCINONITRILE DSM IP Assets B.V. (NL) 2004-09-15 EP disclosed
EP-1325905-A1 Process for preparing succinonitrile DSM N.V. (NL) 2003-07-09 EP disclosed
WO-2003050079-A1 PROCESS FOR PREPARING SUCCINONITRILE DSM IP ASSETS B.V. (NL) 2003-06-19 WO disclosed
JP-H11130840-A SETTING AGENT FOR EPOXY RESIN AND EPOXY RESIN COMPOSITION MITSUBISHI CHEMICAL CORP 1999-05-18 JP disclosed
JP-H11116528-A PRODUCTION OF 1,2,4-BUTANETRICARBOXYLIC ACID MITSUBISHI CHEMICAL CORP 1999-04-27 JP 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-11830981-B2 Electrolyte and electrochemical device KCNH3, KCNH2, KCNH1 TSHR 1480/4885ALDH1A1 1064/4885TDP1 3652/4885
US-20060229463-A1 Process for preparing succinonitrile ADH1C, ADH1A, IDH1 TSHR 4155/4885ALDH1A1 30/4885TDP1 2667/4885

“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.