SCHEMBL727619

SCHEMBL727619

CC(O)CNCCNCC(C)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 5/20 0.43
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ADRB2 P07550 1/20 0.39
AMY1A P0DUB6 1/20 0.38
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL2156658 0.97 KMT2A (0.46) KMT2AALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL14661169 0.97 KMT2A (0.46) KMT2AALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1742975 0.89 ALDH1A1 (0.42) KMT2AALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1741226 0.89
SCHEMBL3283920 0.88 PKM (0.42) KMT2AALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL23733297 0.87 ANPEP (0.42) KMT2AALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL4630313 0.87 KMT2A (0.41) KMT2AALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL11014748 0.87 CA12 (0.48) KMT2AALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL6865618 0.87 KMT2A (0.41) KMT2AALDH1A1CYP1A2CYP2D6CYP2C19
Diisopropanolamine SCHEMBL10618901 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023906-B Application of N, N, N-tri (2-hydroxypropyl) amine cyclic borate as inorganic nonmetallic mineral grinding aid 南京红宝丽醇胺化学有限公司 2024-12-13 CN claimed
CN-117161609-A Formula and preparation method of high-performance soldering flux 深圳市同方电子新材料有限公司 2023-12-05 CN claimed
CN-116023906-A Application of N, N, N-tri (2-hydroxypropyl) amine cyclic borate as inorganic nonmetallic mineral grinding aid 南京红宝丽醇胺化学有限公司 2023-04-28 CN claimed
CN-108864807-B Binder for printing ink, application thereof, and printed matter 昭和电工材料株式会社 2021-10-01 CN claimed
EP-3263272-B1 FLUX SENJU METAL INDUSTRY CO (JP) 2020-04-01 EP claimed
EP-3263272-A1 FLUX SENJU METAL INDUSTRY CO., LTD. (JP) 2018-01-03 EP claimed
US-8372892-B2 Attached, high reactivity rigid polyurethane foams DOW GLOBAL TECHNOLOGIES LLC (US) 2013-02-12 US claimed
EP-1725600-B2 ATTACHED, HIGH REACTIVITY RIGID POLYURETHANE FOAMS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-10-03 EP claimed
JP-4824670-B2 2011-11-30 JP claimed
EP-1725600-B1 ATTACHED, HIGH REACTIVITY RIGID POLYURETHANE FOAMS DOW GLOBAL TECHNOLOGIES INC (US) 2008-09-03 EP claimed
US-20080038461-A1 Attached, High Reactivity Rigid Polyurethane Foams DOW GLOBAL TECHNOLOGIES LLC 2008-02-14 US claimed
JP-2007528434-A 2007-10-11 JP claimed
EP-1725600-A1 ATTACHED, HIGH REACTIVITY RIGID POLYURETHANE FOAMS The Dow Global Technologies Inc. (US) 2006-11-29 EP claimed
WO-2005090431-A1 ATTACHED, HIGH REACTIVITY RIGID POLYURETHANE FOAMS DOW GLOBAL TECHNOLOGIES, INC. (US) 2005-09-29 WO claimed
US-5693682-A POLYURETHANE FOAM WHICH IS FREE OF ORGANIC BLOWING AGENTS AND HAS CORE OF CONTROLLED DENSITY WOODBRIDGE FOAM CORPORATION (CA) 1997-12-02 US claimed
WO-1993015122-A1 MEDICAL GRADE ADHESIVES AND THEIR PREPARATION THE UNIVERSITY OF AKRON (US) 1993-08-05 WO claimed
US-5175246-A Reacting aliphatic diamines with diepoxide UNIVERSITY OF AKRON, THE (US) 1992-12-29 US claimed
US-20260125344-A1 POLYURETHANE-ACETOACETATE COMPOUNDS PPG INDUSTRIES OHIO, INC. (US) 2026-05-07 US disclosed
US-3950317-A FREE RADICAL CATALYSTS, VINYL MONOMERS, POLYOLS, POLYURETHANES BASF WYANDOTTE CORPORATION (US) 1976-04-13 US disclosed
US-3931450-A BONDING STRENGTH BASF WYANDOTTE CORPORATION (US) 1976-01-06 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 (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-20260125344-A1 POLYURETHANE-ACETOACETATE COMPOUNDS HAT1, PUF60, GAR1 KMT2A 350/4885ALDH1A1 67/4885CYP1A2 3052/4885

“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.