SCHEMBL2182376

SCHEMBL2182376

CCCCCC(C#N)CCC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
OPRM1 P35372 1/20 0.40
LMNA P02545 1/20 0.37
DNM1 Q05193 2/20 0.36
THRB P10828 1/20 0.35
FDPS P14324 4/20 0.34
GPR84 Q9NQS5 3/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FFAR1 O14842 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL30879536 1.00 TSHR (0.43) TSHROPRM1LMNADNM1THRB
SCHEMBL20530377 1.00 TSHR (0.43) TSHROPRM1LMNADNM1THRB
Hydrochloric Acid SCHEMBL30889331 0.97 TSHR (0.42) TSHROPRM1LMNADNM1THRB
SCHEMBL31294445 0.97 TSHR (0.42) TSHROPRM1LMNADNM1THRB
SCHEMBL29062998 0.97 TSHR (0.42) TSHROPRM1LMNADNM1THRB
SCHEMBL16760715 0.97 TSHR (0.42) TSHROPRM1LMNADNM1THRB
SCHEMBL11153202 0.97 TSHR (0.42) TSHROPRM1LMNADNM1THRB
SCHEMBL10167940 0.97 TSHR (0.42) TSHROPRM1LMNADNM1THRB
SCHEMBL3451185 0.97 TSHR (0.42) TSHROPRM1LMNADNM1THRB
SCHEMBL14534536 0.97 TSHR (0.42) TSHROPRM1LMNADNM1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519404-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN Firmenich SA (CH) 2025-03-12 EP claimed
EP-4096618-B1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2025-01-29 EP claimed
EP-4438065-A2 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2024-10-02 EP claimed
CN-117881397-A Heterocyclic compounds and methods of use 安进公司 2024-04-12 CN claimed
US-20240050337-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2024-02-15 US claimed
WO-2023247604-A1 METHODS FOR ENHANCING MENTAL PERFORMANCE AND COMPOSITIONS FOR USE THEREIN FIRMENICH SA (CH) 2023-12-28 WO claimed
CN-116490160-A A mixture containing 1, 2-alkanediol 西姆莱斯股份公司 2023-07-25 CN claimed
US-20230060897-A1 COMPOSITIONS TO LIMIT OR ELIMINATE PERCEPTION OF RAW MATERIAL MALODOURS IN SOAP BASES FIRMENICH SA (CH) 2023-03-02 US claimed
EP-4106718-A1 ANTIMICROBIAL COMPOSITIONS Firmenich SA (CH) 2022-12-28 EP claimed
EP-4096618-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2022-12-07 EP claimed
WO-2016049395-A1 PRODUCTS COMPRISING MALODOR REDUCTION MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20160089464-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
WO-2016049404-A1 SUBSTRATES COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20160090556-A1 PRODUCTS COMPRISING MALODOR REDUCTION MATERIALS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
WO-2016049389-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20160090557-A1 SUBSTRATES COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
US-20130164239-A1 MALODOR COUNTERACTING COMPOSITIONS AND METHOD FOR THEIR USE FIRMENICH SA (CH) 2013-06-27 US claimed
US-20100028288-A1 MALODOR COUNTERACTING COMPOSITIONS AND METHOD FOR THEIR USE FIRMENICH SA (CH) 2010-02-04 US claimed
EP-2059265-A2 MALODOR COUNTERACTING COMPOSITIONS AND METHOD FOR THEIR USE Firmenich S.A. (CH) 2009-05-20 EP claimed
WO-2008026140-A2 MALODOR COUNTERACTING COMPOSITIONS AND METHOD FOR THEIR USE FIRMENICH SA (CH) 2008-03-06 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20130164239-A1 MALODOR COUNTERACTING COMPOSITIONS AND METHOD FOR THEIR USE NOX5, CUTA, SMURF1 TSHR 2551/4885OPRM1 70/4885LMNA 4354/4885
US-20240050337-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS OR10J3, OR51E2, MAL2 TSHR 4469/4885OPRM1 6/4885LMNA 3527/4885
US-20100028288-A1 MALODOR COUNTERACTING COMPOSITIONS AND METHOD FOR THEIR USE MYOC, AOC1, CUTA TSHR 1615/4885OPRM1 41/4885LMNA 3602/4885

“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.