SCHEMBL15218148

SCHEMBL15218148

C=CCCCCCCCCN(C)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
MAPT P10636 2/20 0.41
ABCC4 O15439 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LPAR3 Q9UBY5 2/20 0.41
LMNA P02545 2/20 0.41
SQLE Q14534 1/20 0.37
LPAR2 Q9HBW0 1/20 0.36
TRPA1 O75762 1/20 0.34
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3121300 0.80 TSHR (0.58) TSHRMAPTABCC4ALDH1A1LPAR3
SCHEMBL3123219 0.80 TSHR (0.58) TSHRMAPTABCC4ALDH1A1LPAR3
SCHEMBL3116213 0.80 TSHR (0.58) TSHRMAPTABCC4ALDH1A1LPAR3
SCHEMBL28334887 0.80 TSHR (0.58) TSHRMAPTABCC4ALDH1A1LPAR3
SCHEMBL3109511 0.80 TSHR (0.58) TSHRMAPTABCC4ALDH1A1LPAR3
SCHEMBL816016 0.80 TSHR (0.58) TSHRMAPTABCC4ALDH1A1LPAR3
SCHEMBL3119072 0.80 TSHR (0.58) TSHRMAPTABCC4ALDH1A1LPAR3
SCHEMBL3136699 0.79
SCHEMBL15040990 0.79 ALDH1A1 (0.50) TSHRMAPTALDH1A1SQLE
Bromide SCHEMBL30719251 0.78 TSHR (0.55) TSHRMAPTABCC4ALDH1A1LPAR3

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342354-A1 AQUEOUS HARD SURFACE CLEANERS BASED ON TERPENES AND FATTY ACID DERIVATIVES STEPAN CO (US) 2017-11-30 US disclosed
US-9828570-B2 Fatty amines, amidoamines, and their derivatives from natural oil metathesis STEPAN COMPANY (US) 2017-11-28 US disclosed
EP-2841540-B1 AQUEOUS HARD SURFACE CLEANERS BASED ON TERPENES AND FATTY ACID DERIVATIVES STEPAN CO (US) 2017-10-18 EP disclosed
US-9758751-B2 Aqueous hard surface cleaners based on terpenes and fatty acid derivatives STEPAN COMPANY (US) 2017-09-12 US disclosed
EP-2632890-B1 FATTY AMINES, AMIDOAMINES, AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN CO (US) 2017-01-11 EP disclosed
US-9493727-B2 Fatty amines, amidoamines, and their derivatives from natural oil metathesis STEPAN COMPANY (US) 2016-11-15 US disclosed
US-20160032218-A1 FATTY AMINES, AMIDOAMINES, AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN CO (US) 2016-02-04 US disclosed
US-9249374-B2 Light-duty liquid detergents based on compositions derived from natural oil metathesis STEPAN COMPANY (US) 2016-02-02 US disclosed
US-20160016897-A1 FATTY AMINES, AMIDOAMINES, AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN CO (US) 2016-01-21 US disclosed
US-9175246-B2 Fatty amines, amidoamines, and their derivatives from natural oil metathesis STEPAN COMPANY (US) 2015-11-03 US disclosed
US-9006144-B2 Glyphosate formulations based on compositions derived from natural oil metathesis STEPAN COMPANY (US) 2015-04-14 US disclosed
US-20150098745-A1 AQUEOUS HARD SURFACE CLEANERS BASED ON TERPENES AND FATTY ACID DERIVATIVES STEPAN CO (US) 2015-04-09 US disclosed
WO-2013162926-A1 AQUEOUS HARD SURFACE CLEANERS BASED ON TERPENES AND FATTY ACID DERIVATIVES STEPAN COMPANY (US) 2013-10-31 WO disclosed
US-20130288946-A1 LIGHT-DUTY LIQUID DETERGENTS BASED ON COMPOSITIONS DERIVED FROM NATURAL OIL METATHESIS STEPAN COMPANY (US) 2013-10-31 US disclosed
US-20130225408-A1 FATTY AMINES, AMIDOAMINES, AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS STEPAN COMPANY (US) 2013-08-29 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 (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-20160032218-A1 FATTY AMINES, AMIDOAMINES, AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS SOAT2, SOAT1, FADS1 TSHR 1220/4885MAPT 3602/4885ABCC4 3038/4885
US-20160016897-A1 FATTY AMINES, AMIDOAMINES, AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS SOAT2, SOAT1, FADS1 TSHR 1220/4885MAPT 3602/4885ABCC4 3038/4885
US-20130225408-A1 FATTY AMINES, AMIDOAMINES, AND THEIR DERIVATIVES FROM NATURAL OIL METATHESIS SOAT2, SOAT1, FADS1 TSHR 1220/4885MAPT 3602/4885ABCC4 3038/4885

“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.