SCHEMBL836498

SCHEMBL836498

CCCC(CCI)COC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
ALOX15 P16050 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 5/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 5/20 0.35
CYP3A4 P08684 4/20 0.35
TDP1 Q9NUW8 4/20 0.35
ATM Q13315 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CYP1A2 P05177 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 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
SCHEMBL28043240 0.90 ALOX15 (0.48) CA2ALOX15CA12CA1CA7
SCHEMBL7190328 0.87 CYP3A4 (0.43) CA2ALOX15LMNAHSD17B10TSHR
SCHEMBL24733682 0.82 CYP3A4 (0.50) CA2ALOX15CA12CA1CA7
Iodide SCHEMBL872505 0.81 CYP3A4 (0.49) CA2ALOX15CA12CA1CA7
SCHEMBL8942996 0.76 PRSS1 (0.50) CA2ALOX15LMNATSHRCYP3A4
SCHEMBL224633 0.73 ALOX15 (0.52) CA2ALOX15LMNAHSD17B10TSHR
SCHEMBL10581132 0.73 CYP3A4 (0.49) CA2ALOX15CA1LMNAHSD17B10
SCHEMBL224692 0.72 ALOX15 (0.46) CA2ALOX15CA1LMNAHSD17B10
SCHEMBL6671734 0.72 ALOX15 (0.46) CA2ALOX15CA1LMNAHSD17B10
SCHEMBL467542 0.72 CYP3A4 (0.66) CA2CA1LMNAHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462584-B2 Lubricant concentrate based on alcohols ECOLAB INC. (US) 2008-12-09 US claimed
EP-4340807-A1 HAIR COLOR COMPOSITIONS FOR MITIGATING COLOR LOSS Lubrizol Advanced Materials, Inc. (US) 2024-03-27 EP disclosed
US-20210154120-A1 HAIR MODIFICATION COMPOSITION AND METHOD THEREFOR LUBRIZOL ADVANCED MATERIALS, INC. (US) 2021-05-27 US disclosed
EP-3773458-A1 HAIR MODIFICATION COMPOSITION AND METHOD THEREFOR Lubrizol Advanced Materials, Inc. (US) 2021-02-17 EP disclosed
US-10905646-B2 Thermoplastic polyurethane film for delivery of active agents to skin surfaces LUBRIZOL ADVANCED MATERIALS, INC. 2021-02-02 US disclosed
US-10758490-B2 Nanocapsules containing microemulsions LIPOTEC, S.A. (ES) 2020-09-01 US disclosed
WO-2019200027-A1 HAIR MODIFICATION COMPOSITION AND METHOD THEREFOR LUBRIZOL ADVANCED MATERIALS, INC. (US) 2019-10-17 WO disclosed
CN-105979926-B Capryloyl alanine ethylester as penetration enhancer 巴斯夫欧洲公司 2019-09-27 CN disclosed
EP-2618926-B1 NANOCAPSULES CONTAINING MICROEMULSIONS LIPOTEC SA (ES) 2019-05-08 EP disclosed
EP-3174446-B1 A METHOD OF MANUAL SURFACE CLEANING USING CLEANING TEXTILES AND OF WASHING SAID CLEANING TEXTILES ECOLAB USA INC (US) 2019-01-30 EP disclosed
US-20050043198-A1 Alkaline protease from Bacillus sp. (DSM 14392) and washing and cleaning products comprising said alkaline protease HENKEL AG & CO. KGAA (DE) 2005-02-24 US disclosed
US-20050026269-A1 Novel alkaline protease variants and detergents and cleaning agents containing said novel alkaline protease variants HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-02-03 US disclosed
US-20050020472-A1 Cellulase and cellulose containing detergent HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-01-27 US disclosed
US-20050009167-A1 Alkaline protease from Bacillus sp. (DSM 14390) and washing and cleaning products comprising said alkaline protease HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-01-13 US disclosed
US-20050003504-A1 Alkaline protease from Bacillus gibsonii (DSM 14391) and washing and cleaning products comprising said alkaline protease HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-01-06 US disclosed
US-20050003985-A1 Alkaline protease variants HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-01-06 US disclosed
US-20050003419-A1 Glycosyl hydrolases B.R.A.I.N. BIOTECHNOLOGY RESEARCH AND INFORMATION NETWORK AG (DE) 2005-01-06 US disclosed
US-20040235125-A1 Novel cyclodextrin glucanotransferase (cgtase), obtained from<I> bacillus agaradherens</I> (dsm 9948) and detergents and cleaning agents containing said novel cyclodextrin glucanotransferase HENKEL AG & CO. KGAA (DE) 2004-11-25 US disclosed
US-20040087475-A1 Quaternary ammonium softener, polyethersiloxane spreading agent and silicone oil ironability enhancer; textile laundering; nonstaining HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-05-06 US disclosed
US-20040031107-A1 Cleaning material HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL HGAA) (DE) 2004-02-19 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 (8 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-20050026269-A1 Novel alkaline protease variants and detergents and cleaning agents containing said novel alkaline protease variants LCT, CTRL, TMPRSS11D CA2 658/4885ALOX15 3601/4885CA12 694/4885
US-20050009167-A1 Alkaline protease from Bacillus sp. (DSM 14390) and washing and cleaning products comprising said alkaline protease ANPEP, TMPRSS15, RNPEP CA2 557/4885ALOX15 3663/4885CA12 997/4885
US-20210154120-A1 HAIR MODIFICATION COMPOSITION AND METHOD THEREFOR DSC1, HADHB, PHOSPHO1 CA2 3199/4885ALOX15 552/4885CA12 1157/4885
US-20050043198-A1 Alkaline protease from Bacillus sp. (DSM 14392) and washing and cleaning products comprising said alkaline protease ANPEP, RNPEP, TMPRSS15 CA2 422/4885ALOX15 3632/4885CA12 673/4885
US-10905646-B2 Thermoplastic polyurethane film for delivery of active agents to skin surfaces DNER, CUTA, PUF60 CA2 1429/4885ALOX15 1130/4885CA12 884/4885
US-20050003419-A1 Glycosyl hydrolases AGL, ENGASE, UNG CA2 2752/4885ALOX15 1337/4885CA12 1721/4885
US-20050003504-A1 Alkaline protease from Bacillus gibsonii (DSM 14391) and washing and cleaning products comprising said alkaline protease ALPI, RNPEP, PRSS2 CA2 283/4885ALOX15 3543/4885CA12 481/4885
US-20050003985-A1 Alkaline protease variants LCT, TMPRSS11D, CTRL CA2 264/4885ALOX15 2907/4885CA12 422/4885

“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.