SCHEMBL176022

SCHEMBL176022

C=CC(=O)N[N+](C)(C)CCC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
TSHR P16473 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.31

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
Hydrochloric Acid SCHEMBL5487748 0.98 ZDHHC20 (0.40) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Sulfuric Acid SCHEMBL27766767 0.91 ZDHHC20 (0.36) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL27594490 0.88 ZDHHC20 (0.47) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Lactic Acid SCHEMBL4910797 0.88 TSHR (0.36) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL9191360 0.87 ZDHHC20 (0.37) ZDHHC20ZDHHC2
L-Lactic Acid SCHEMBL4910791 0.87 TSHR (0.35) ZDHHC20ZDHHC2TSHR
Hydrochloric Acid SCHEMBL15271262 0.86 ZDHHC20 (0.46) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Bromide SCHEMBL4398412 0.83 ZDHHC20 (0.51) ZDHHC20ZDHHC2TSHRALDH1A1THRA
Bromide SCHEMBL8633399 0.83 ZDHHC20 (0.51) ZDHHC20ZDHHC2TSHRALDH1A1THRA
Bromide SCHEMBL31071683 0.83 ZDHHC20 (0.51) ZDHHC20ZDHHC2TSHRALDH1A1THRA

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 1106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372226-A1 HAIR CONDITIONER COMPOSITIONS CONTAINING NON-SILICONE CONDITIONING AGENTS THE PROCTER & GAMBLE COMPANY 2023-11-23 US claimed
WO-2023137650-A1 EMULSION FOR TREATING SCALP AND HAIR HENKEL AG & CO. KGAA (DE) 2023-07-27 WO claimed
CN-115960596-A Gas well foam scrubbing agent composition and preparation method and application thereof 西安石油大学 2023-04-14 CN claimed
CN-114652625-A Hair dye agent, and preparation method and application thereof 浙江大学滨海产业技术研究院 2022-06-24 CN claimed
CN-112156041-A Dry-cleaning spray composition for hair and preparation method thereof 花安堂生物科技集团有限公司 2021-01-01 CN claimed
EP-2758505-A1 DETERGENT COMPOSITIONS COMPRISING SUSTAINABLE SURFACTANT SYSTEMS COMPRISING ISOPRENOID-DERIVED SURFACTANTS The Procter and Gamble Company (US) 2014-07-30 EP claimed
EP-2758503-A2 DETERGENT COMPOSITIONS COMPRISING SPECIFIC BLEND RATIOS OF ISOPRENOID-BASED SURFACTANTS The Procter and Gamble Company (US) 2014-07-30 EP claimed
EP-2758504-A1 DETERGENT COMPOSITIONS COMPRISING PRIMARY SURFACTANT SYSTEMS COMPRISING HIGHLY BRANCHED SURFACTANTS ESPECIALLY ISOPRENOID - BASED SURFACTANTS The Procter and Gamble Company (US) 2014-07-30 EP claimed
US-20140148375-A1 DETERGENT COMPOSITIONS COMPRISING SUSTAINABLE SURFACTANT SYSTEMS COMPRISING ISOPRENOID-DERIVED SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2014-05-29 US claimed
US-20140080748-A1 EASY RINSE DETERGENT COMPOSITIONS COMPRISING ISOPRENOID-BASED SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2014-03-20 US claimed
EP-1180131-A2 DETERGENT COMPOSITIONS COMPRISING POLYMERIC SUDS VOLUME AND SUDS DURATION ENHANCERS THE PROCTER & GAMBLE COMPANY (US) 2002-02-20 EP claimed
EP-1144571-A2 AQUEOUS HEAVY DUTY LIQUID DETERGENT COMPOSITIONS COMPRISING MODIFIED ALKYLBENZENE SULFONATES The Procter & Gamble Company (US) 2001-10-17 EP claimed
EP-1144576-A1 AQUEOUS HEAVY DUTY LIQUID DETERGENT COMPOSITIONS COMPRISING MODIFIED ALKYLBENZENE SULFONATES The Procter & Gamble Company (US) 2001-10-17 EP claimed
WO-2000071652-A2 DETERGENT COMPOSITIONS COMPRISING POLYMERIC SUDS VOLUME AND SUDS DURATION ENHANCERS THE PROCTER & GAMBLE COMPANY (US) 2000-11-30 WO claimed
WO-2000043478-A1 AQUEOUS HEAVY DUTY LIQUID DETERGENT COMPOSITIONS COMPRISING MODIFIED ALKYLBENZENE SULFONATES THE PROCTER & GAMBLE COMPANY (US) 2000-07-27 WO claimed
WO-2000043473-A2 AQUEOUS HEAVY DUTY LIQUID DETERGENT COMPOSITIONS COMPRISING MODIFIED ALKYLBENZENE SULFONATES THE PROCTER & GAMBLE COMPANY (US) 2000-07-27 WO claimed
WO-1999019450-A1 AQUEOUS AND NON-AQUEOUS HEAVY DUTY LIQUID DETERGENT COMPOSITIONS COMPRISING MID-CHAIN BRANCHED SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1999-04-22 WO claimed
US-5349023-A Vinyl alcohol copolymer having terminal amino group KURARAY CO., LTD. (JP) 1994-09-20 US claimed
US-4911919-A Mixture of quaternary ammonium compound, alkanol, mineral oil cyclic silicone COLGATE-PALMOLIVE COMPANY (US) 1990-03-27 US claimed
US-4726945-A MIXTURE OF QUATERNARY AMMONIUM COMPOUND, ALKYLAMIDODIALKYLAMINE, PROPYLENE GLYCOL, MINERAL OIL, FATTY ALCOHOL AND SILOXANE COLGATE-PALMOLIVE CO. (US) 1988-02-23 US 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 (1 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-20230372226-A1 HAIR CONDITIONER COMPOSITIONS CONTAINING NON-SILICONE CONDITIONING AGENTS DNER, DSG1, CUTA ZDHHC20 549/4885ZDHHC2 822/4885TSHR 4305/4885

“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.