SCHEMBL810691

SCHEMBL810691

O=C(C=CCC=CC(=O)NCO)NCO

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
POLB P06746 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
CYP1A2 P05177 1/20 0.33
FAAH O00519 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4967659 0.89 ALDH1A1 (0.32) ALDH1A1LMNACYP2C19CYP2D6POLB
SCHEMBL11349206 0.84 CNR2 (0.42) CNR1CNR2TAS1R3TAS1R1
SCHEMBL866793 0.83 ALDH1A1 (0.39) ALDH1A1LMNACYP2C19CYP2D6POLB
SCHEMBL867285 0.83 ALDH1A1 (0.39) ALDH1A1LMNACYP2C19CYP2D6POLB
SCHEMBL866792 0.83 ALDH1A1 (0.39) ALDH1A1LMNACYP2C19CYP2D6POLB
SCHEMBL6854552 0.81 TAS1R3 (0.53) FAAHCNR1CNR2TAS1R3TAS1R1
SCHEMBL1682715 0.79 ALDH1A1 (0.50) ALDH1A1LMNACYP2C19CYP2D6POLB
SCHEMBL1060147 0.79 ALDH1A1 (0.50) ALDH1A1LMNACYP2C19CYP2D6POLB
Acetone SCHEMBL504609 0.75 CHRNB2 (0.32) ALDH1A1CNR1CNR2
SCHEMBL820926 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933294-B2 Absorbent product comprising a cationic modified starch THE PROCTER & GAMBLE COMPANY (US) 2015-01-13 US claimed
CN-111417755-B Composition for paper coating 可泰克斯公司 2022-08-30 CN disclosed
US-10668003-B2 Product and method for the temporary shaping of keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2020-06-02 US disclosed
EP-3302715-B1 COMPOSITION COMPRISING A PARTICULAR ANIONIC ASSOCIATIVE POLYMER, A PARTICULAR FIXING POLYMER AND A PARTICULAR ANIONIC POLYMER OREAL (FR) 2020-04-15 EP disclosed
EP-3077059-B1 COMPOSITION COMPRISING AT LEAST ONE ANIONIC ASSOCIATIVE POLYMER, AT LEAST ONE ANIONIC FIXING POLYMER AND AT LEAST ONE STARCH OREAL (FR) 2020-03-18 EP disclosed
EP-3077058-B1 COMPOSITION COMPRISING AT LEAST ONE ANIONIC ASSOCIATIVE POLYMER, AT LEAST ONE ANIONIC FIXING POLYMER AND AT LEAST ONE CATIONIC FIXING POLYMER OREAL (FR) 2020-02-05 EP disclosed
US-20190264019-A1 PRODUCTION OF A POLYMER EMULSION COATEX (FR) 2019-08-29 US disclosed
US-10143643-B2 Modified polysaccharides CORN PRODUCTS DEVELOPMENT, INC. (US) 2018-12-04 US disclosed
EP-3239180-B1 MODIFIED POLYSACCHARIDES CORN PRODUCTS DEV INC (BR) 2018-11-28 EP disclosed
US-20180161253-A1 COMPOSITION COMPRISING A PARTICULAR ANIONIC ASSOCIATIVE POLYMER, A PARTICULAR FIXING POLYMER AND A PARTICULAR ANIONIC POLYMER L'OREAL (FR) 2018-06-14 US disclosed
US-4220610-A Organic phosphorus compounds with 2-hydroxyalkyl-phosphonic acid groups HOECHST AKTIENGESELLSCHAFT (DE) 1980-09-02 US disclosed
EP-0009706-A1 Organic phosphorus compounds containing 3-hydroxyalkylphosphinic acid ester groups, their preparation and use HOECHST AKTIENGESELLSCHAFT (DE) 1980-04-16 EP disclosed
US-4184004-A HYDROPHILIC SOFTENING AGENTS UNION CARBIDE CORPORATION (US) 1980-01-15 US disclosed
EP-0003599-A1 Organic phosphorus compounds with 2-hydroxyalkylphosphoric acid groups, process for their preparation and their use as flame retardants HOECHST AKTIENGESELLSCHAFT (DE) 1979-08-22 EP disclosed
US-4117222-A PROCESS FOR THE MANUFACTURE OF ABSORBENT, MODIFIED STARCH ETHERS AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-26 US disclosed
US-4072776-A PHOSPHOROUS CONTAINING ACRYLIC ACID ESTERS HOECHST AKTIENGESELLSCHAFT (DT) 1978-02-07 US disclosed
US-4033921-A ADHESIVES, COATINGS THE LUBRIZOL CORPORATION (US) 1977-07-05 US disclosed
US-4026856-A Adhesives prepared from alkaline reagents and polymers of water-soluble hydroxyalkylated and alkoxyalkylated compositions and the like derived from N-3-oxohydrocarbon-substituted acrylamides THE LUBRIZOL CORPORATION (US) 1977-05-31 US disclosed
US-3963657-A THERMOSETTING PAINTS, ACRYLIC POLYMERS THE LUBRIZOL CORPORATION (US) 1976-06-15 US disclosed
US-3959224-A Water-soluble hydroxyalkylated and alkoxyalkylated compositions and the like derived from N-3-oxohydrocarbon-substituted acrylamides, and polymers thereof THE LUBRIZOL CORPORATION (US) 1976-05-25 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 (3 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-20180161253-A1 COMPOSITION COMPRISING A PARTICULAR ANIONIC ASSOCIATIVE POLYMER, A PARTICULAR FIXING POLYMER AND A PARTICULAR ANIONIC POLYMER F12, ASS1, ALG1 ALDH1A1 664/4885LMNA 2401/4885CYP2C19 1580/4885
US-10668003-B2 Product and method for the temporary shaping of keratin-containing fibers KRT18, ACR, CUTA ALDH1A1 1613/4885LMNA 1145/4885CYP2C19 3199/4885
US-10143643-B2 Modified polysaccharides ALG1, HDAC1, CSGALNACT1 ALDH1A1 4730/4885LMNA 2932/4885CYP2C19 4148/4885

“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.