SCHEMBL3119072

SCHEMBL3119072

C=CCCCCCCCCN(C)C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
ALDH1A1 P00352 4/20 0.58
DNM1 Q05193 3/20 0.48
ABCC4 O15439 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
TRPA1 O75762 1/20 0.37
SIGMAR1 Q99720 2/20 0.35
LPAR3 Q9UBY5 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34

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 1.00 TSHR (0.58) TSHRALDH1A1DNM1ABCC4MAPT
SCHEMBL28334887 1.00 TSHR (0.58) TSHRALDH1A1DNM1ABCC4MAPT
SCHEMBL3109511 1.00 TSHR (0.58) TSHRALDH1A1DNM1ABCC4MAPT
SCHEMBL3116213 1.00 TSHR (0.58) TSHRALDH1A1DNM1ABCC4MAPT
SCHEMBL3123219 1.00 TSHR (0.58) TSHRALDH1A1DNM1ABCC4MAPT
SCHEMBL816016 1.00 TSHR (0.58) TSHRALDH1A1DNM1ABCC4MAPT
Bromide SCHEMBL30719251 0.97 TSHR (0.55) TSHRALDH1A1DNM1ABCC4MAPT
Hydrochloric Acid SCHEMBL27899373 0.97 TSHR (0.55) TSHRALDH1A1DNM1ABCC4MAPT
SCHEMBL2887665 0.97
SCHEMBL28011907 0.93 ALDH1A1 (0.50) TSHRALDH1A1DNM1ABCC4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10982174-B2 Synergistic surfactant blends STEPAN COMPANY (US) 2021-04-20 US disclosed
US-20200040279-A1 SYNERGISTIC SURFACTANT BLENDS STEPAN CO (US) 2020-02-06 US disclosed
US-10233412-B2 Aqueous hard surface cleaners based on terpenes and fatty acid derivatives STEPAN COMPANY (US) 2019-03-19 US disclosed
EP-2633022-B1 HARD SURFACE CLEANERS BASED ON COMPOSITIONS DERIVED FROM NATURAL OIL METATHESIS STEPAN CO (US) 2019-01-23 EP disclosed
US-20170342354-A1 AQUEOUS HARD SURFACE CLEANERS BASED ON TERPENES AND FATTY ACID DERIVATIVES STEPAN CO (US) 2017-11-30 US disclosed
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
US-9828570-B2 Fatty amines, amidoamines, and their derivatives from natural oil metathesis STEPAN COMPANY (US) 2017-11-28 US disclosed
US-9815780-B2 Quaternized fatty amines, amidoamines and their derivatives from natural oil STEPAN COMPANY (US) 2017-11-14 US disclosed
US-9815780-B2 Quaternized fatty amines, amidoamines and their derivatives from natural oil STEPAN COMPANY (US) 2017-11-14 US disclosed
CN-100335509-C Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS INC (JP) 2007-09-05 CN disclosed
EP-1734061-A2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer and uses thereof MITSUI CHEMICALS, INC. (JP) 2006-12-20 EP disclosed
CN-1737016-A Polar group-containing olefin copolymer, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS INC (JP) 2006-02-22 CN disclosed
CN-1737017-A Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS INC (JP) 2006-02-22 CN disclosed
CN-1219800-C Polar group-containing olefin copolymer, thermoplastic resin composition containing the same, and use thereof MITSUI CHEMICALS INC (JP) 2005-09-21 CN disclosed
US-20040122192-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. 2004-06-24 US disclosed
US-20020156207-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2002-10-24 US disclosed
CN-1342715-A Polar group-containing olefin copolymer, process for producing the same, thermoplastic resin composition containing the same, and use thereof MITSUI CHEMICALS INC (JP) 2002-04-03 CN disclosed
EP-1186619-A2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition contaning the copolymer, and uses thereof Mitsui Chemicals, Inc. (JP) 2002-03-13 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 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-10982174-B2 Synergistic surfactant blends HHAT, SQLE, SFN TSHR 2579/4885ALDH1A1 2395/4885DNM1 2481/4885
US-20200040279-A1 SYNERGISTIC SURFACTANT BLENDS HHAT, SQLE, SFN TSHR 2579/4885ALDH1A1 2395/4885DNM1 2481/4885

“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.