SCHEMBL3103524

SCHEMBL3103524

CCCCOC(=O)NC(I)CC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
ACHE P22303 10/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL2345224 0.83 EPHX1 (0.42) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL4778612 0.80 EPHX1 (0.40) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL5622460 0.79 EPHX1 (0.48) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL18507224 0.79 EPHX1 (0.48) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL8382659 0.79 EPHX1 (0.52) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL7838501 0.78 EPHX1 (0.47) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL1608506 0.77 EPHX1 (0.43) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL2551779 0.77 EPHX1 (0.50) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL5128756 0.77 EPHX1 (0.50) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL27756824 0.77 EPHX1 (0.50) EPHX1ACHEALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118973594-A Cosmetic, nutritional or dermatological use of lactobacillus crispatus strains and/or compositions comprising the same 巴斯夫美容护理法国公司 2024-11-15 CN disclosed
CN-114555042-B Novel cosmetic use of N-methylglycine for increasing the diversity of the microbial flora of the skin 巴斯夫美容护理法国公司 2024-03-05 CN disclosed
CN-116685307-A Cosmetic, nutritional or dermatological use of lactobacillus crispatus strains and/or compositions comprising the same 巴斯夫美容护理法国公司 2023-09-01 CN disclosed
US-8580549-B2 Esterases for separating plastics HENKEL KGAA (DE) 2013-11-12 US disclosed
US-20100330013-A1 AMADORIASES IN WASHING AND CLEANING PRODUCTS HENKEL AG & CO. KGAA (DE) 2010-12-30 US disclosed
US-7803604-B2 Amylolytic enzyme extracted from Bacillus sp. A 7-7 (DSM 12368) and washing and cleaning agents containing this novel amylolytic enzyme HENKEL AG & CO. KGAA (DE) 2010-09-28 US disclosed
US-20090275493-A1 Novel Alkaline Protease from Bacillus Gibsonii and Washing and Cleaning Agents containing said Novel Alkaline Protease HENKEL AG & CO. KGAA (DE) 2009-11-05 US disclosed
US-20090258406-A1 Use of esterases for separating plastics HENKEL KGAA (DE) 2009-10-15 US disclosed
US-20090238889-A1 Hyper-Branched Polymers for the Provision of Hygienic Characteristics HENKEL AG & CO. KGAA (DE) 2009-09-24 US disclosed
US-20090120555-A1 Novel amylolytic enzyme extracted from Bacillus sp. A 7-7 (DSM 12368) and washing and cleaning agents containing this novel amylolytic enzyme HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2009-05-14 US disclosed
US-20070128129-A1 ENZYMATIC BLEACHING SYSTEM HENKEL AG & CO. KGAA (DE) 2007-06-07 US disclosed
US-20070048839-A1 Novel amylolytic enzyme extracted from bacillus sp. A 7-7 (DSM 12368) and washing and cleaning agents containing this novel amylolytic enzyme HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-01 US disclosed
US-7153818-B2 Amylolytic enzyme extracted from bacillus sp. A 7-7 (DSM 12368) and washing and cleaning agents containing this novel amylolytic enzyme HENKEL KGAA (DE) 2006-12-26 US disclosed
US-20050282261-A1 Novel choline oxidases HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 US disclosed
US-20050281773-A1 Subtilisin variants with improved perhydrolase activity HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 US disclosed
US-20040102349-A1 Novel amylolytic enzyme extracted from bacillus sp.a 7-7 (dsm 12368) and washing and cleaning agents containing this novel amylolytic enzyme HENKEL AG & CO. KGAA (DE) 2004-05-27 US disclosed
US-6689223-B1 CLEANING SURFACES USING STORAGE STABLE LIQUID DETERGENTS HAVING INTERFACES WHICH CAN BE EMULSIFIED BY AGITATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-02-10 US disclosed
US-20030162689-A1 Conditioning preparation for fabric care HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2003-08-28 US disclosed
US-6432892-B2 WITH ALKYL POLYGLYCOSIDE NONIONIC SURFACTANTS; CLEAR, LOW-FOAMING HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-08-13 US disclosed
US-20010056047-A1 Cleaning of fruit, vegetables, and meats HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2001-12-27 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 (6 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-20070048839-A1 Novel amylolytic enzyme extracted from bacillus sp. A 7-7 (DSM 12368) and washing and cleaning agents containing this novel amylolytic enzyme AMY2A, AMY1A, MGAM EPHX1 1713/4885ACHE 30/4885ALDH1A1 3211/4885
US-20050281773-A1 Subtilisin variants with improved perhydrolase activity DPEP1, HPN, DAO EPHX1 573/4885ACHE 303/4885ALDH1A1 1216/4885
US-20090275493-A1 Novel Alkaline Protease from Bacillus Gibsonii and Washing and Cleaning Agents containing said Novel Alkaline Protease PRSS2, CPB2, GBA3 EPHX1 1446/4885ACHE 280/4885ALDH1A1 3820/4885
US-20070128129-A1 ENZYMATIC BLEACHING SYSTEM LPO, HAO2, APEH EPHX1 431/4885ACHE 20/4885ALDH1A1 570/4885
US-20100330013-A1 AMADORIASES IN WASHING AND CLEANING PRODUCTS ALPI, POLR1C, ZAP70 EPHX1 2706/4885ACHE 63/4885ALDH1A1 267/4885
US-20090238889-A1 Hyper-Branched Polymers for the Provision of Hygienic Characteristics CD44, PCNA, ITGB3 EPHX1 1797/4885ACHE 1173/4885ALDH1A1 1449/4885

“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.