SCHEMBL521914

SCHEMBL521914

N#CC=CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL521913 1.00 ALDH1A1 (0.35) ALDH1A1
SCHEMBL99596 0.97
SCHEMBL99597 0.97
SCHEMBL101534 0.97
SCHEMBL2253136 0.92
SCHEMBL2253133 0.92
SCHEMBL15940330 0.92
Methylamine SCHEMBL27938861 0.90 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1504344 0.86
SCHEMBL2251117 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3835302-B1 DIISOCYANATE COMPOUND HAVING ANHYDROSUGAR ALCOHOL CORE AND PREPARATION METHOD THEREFOR SAMYANG CORP (KR) 2024-10-02 EP claimed
US-12060364-B2 Diisocyanate compound having anhydrosugar alcohol core and preparation method therefor SAMYANG CORPORATION (KR) 2024-08-13 US claimed
US-20210309670-A1 DIISOCYANATE COMPOUND HAVING ANHYDROSUGAR ALCOHOL CORE AND PREPARATION METHOD THEREFOR SAMYANG CORPORATION (KR) 2021-10-07 US claimed
EP-3835302-A1 DIISOCYANATE COMPOUND HAVING ANHYDROSUGAR ALCOHOL CORE AND PREPARATION METHOD THEREFOR Samyang Corporation (KR) 2021-06-16 EP claimed
US-4136077-A REACTION PRODUCT OF OLEFINICALLY-UNSATURATED NITRILE AND A MONOOLEFINIC HYDROCARBON AS PLASTICIZER FOR CONJUGATED DIENE-UNSATURATED NITRILE RUBBER PHILLIPS PETROLEUM COMPANY (US) 1979-01-23 US claimed
EP-3835302-B1 DIISOCYANATE COMPOUND HAVING ANHYDROSUGAR ALCOHOL CORE AND PREPARATION METHOD THEREFOR SAMYANG CORP (KR) 2024-10-02 EP disclosed
US-12060364-B2 Diisocyanate compound having anhydrosugar alcohol core and preparation method therefor SAMYANG CORPORATION (KR) 2024-08-13 US disclosed
US-20210309670-A1 DIISOCYANATE COMPOUND HAVING ANHYDROSUGAR ALCOHOL CORE AND PREPARATION METHOD THEREFOR SAMYANG CORPORATION (KR) 2021-10-07 US disclosed
EP-3835302-A1 DIISOCYANATE COMPOUND HAVING ANHYDROSUGAR ALCOHOL CORE AND PREPARATION METHOD THEREFOR Samyang Corporation (KR) 2021-06-16 EP disclosed
WO-2020032611-A1 DIISOCYANATE COMPOUND HAVING ANHYDROSUGAR ALCOHOL CORE AND PREPARATION METHOD THEREFOR 주식회사 삼양사 2020-02-13 WO disclosed
EP-2417082-B1 CATALYTIC WITTIG AND MITSUNOBU REACTIONS UNIV TEXAS (US) 2016-03-16 EP disclosed
CN-102438970-B Wittig reaction and the light of catalysis prolong reaction BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-10-14 CN disclosed
US-4218394-A FROM UNSATURATED NITRILES AND OLEFINS PHILLIPS PETROLEUM COMPANY (US) 1980-08-19 US disclosed
US-4217303-A UNSATURATED HYDROCARBON, ADDUCT, UNSATURATED DINITRILE, BY-PRODUCT INHIBITION PHILLIPS PETROLEUM COMPANY (US) 1980-08-12 US disclosed
US-4200586-A Inhibiting the carbon-carbon double bond isomerization of substituted or unsubstituted hydrocarbon compounds PHILLIPS PETROLEUM COMPANY (US) 1980-04-29 US disclosed
US-4195155-A Hydrogenated polynitrile mixture and use as epoxy hardener PHILLIPS PETROLEUM COMPANY (US) 1980-03-25 US disclosed
US-4136077-A REACTION PRODUCT OF OLEFINICALLY-UNSATURATED NITRILE AND A MONOOLEFINIC HYDROCARBON AS PLASTICIZER FOR CONJUGATED DIENE-UNSATURATED NITRILE RUBBER PHILLIPS PETROLEUM COMPANY (US) 1979-01-23 US disclosed
US-4117002-A PYROLYSIS OF HEAVIES FORMED IN PRODUCTION OF UNSATURATED DINITRILES PHILLIPS PETROLEUM COMPANY (US) 1978-09-26 US disclosed
US-4117001-A TO RECOVER STARTING MATERIALS PHILLIPS PETROLEUM COMPANY (US) 1978-09-26 US disclosed
US-3985786-A REACTING AN OLEFINICALLY UNSATURATED NITRILE, AN OLEFINIC HYDROCARBON AND THEIR MONOADDUCT IN WATER PHILLIPS PETROLEUM COMPANY (US) 1976-10-12 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-20210309670-A1 DIISOCYANATE COMPOUND HAVING ANHYDROSUGAR ALCOHOL CORE AND PREPARATION METHOD THEREFOR ADH1C, DAD1, UGT8 ALDH1A1 226/4885
US-12060364-B2 Diisocyanate compound having anhydrosugar alcohol core and preparation method therefor ADH1C, DAD1, UGT8 ALDH1A1 226/4885

“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.