SCHEMBL2145804

SCHEMBL2145804

CCCCCCC1CCN(CC)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
GBA1 P04062 1/20 0.36
ACE P12821 2/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCHE P06276 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
GRM2 Q14416 2/20 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
SCHEMBL28542197 0.89 CHRNB2 (0.44) CYP1A2CHRNB2CHRNA7CHRNA4GBA1
SCHEMBL474124 0.88 GBA1 (0.42) CYP1A2CHRNB2CHRNA7CHRNA4GBA1
SCHEMBL9474303 0.88 GBA1 (0.45) CYP1A2CHRNB2CHRNA7CHRNA4GBA1
SCHEMBL3270939 0.88 GBA1 (0.45) CYP1A2CHRNB2CHRNA7CHRNA4GBA1
SCHEMBL3957901 0.88 CYP1A2 (0.39) CYP1A2CHRNB2CHRNA7CHRNA4GBA1
SCHEMBL8602272 0.88 GBA1 (0.45) CYP1A2CHRNB2CHRNA7CHRNA4GBA1
SCHEMBL6130819 0.88 GBA1 (0.45) CYP1A2CHRNB2CHRNA7CHRNA4GBA1
SCHEMBL6535779 0.88 GBA1 (0.45) CYP1A2CHRNB2CHRNA7CHRNA4GBA1
SCHEMBL11775340 0.88 GBA1 (0.45) CYP1A2CHRNB2CHRNA7CHRNA4GBA1
SCHEMBL28942756 0.87 GBA1 (0.44) CYP1A2CHRNB2CHRNA7CHRNA4GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065759-A1 PREFORMED CONCENTRATE FOR DELIVERY OF WATER INSOLUBLE FILM FORMING POLYMERS ISP INVESTMENTS INC. (US) 2013-03-14 US claimed
EP-2545088-A1 A PREFORMED CONCENTRATE FOR DELIVERY OF WATER INSOLUBLE FILM FORMING POLYMERS Isp Investments Inc. (US) 2013-01-16 EP claimed
CN-102834423-A A preformed concentrate for delivery of water insoluble film forming polymers ISP INVESTMENTS INC 2012-12-19 CN claimed
WO-2011112768-A1 A PREFORMED CONCENTRATE FOR DELIVERY OF WATER INSOLUBLE FILM FORMING POLYMERS ISP INVESTMENTS INC. (US) 2011-09-15 WO claimed
EP-0505378-B1 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS ISP INVESTMENTS INC (US) 2001-01-03 EP claimed
US-5354726-A Hydrophilic and hydrophobic solvents prevent precipitation on extended storage ISP INVESTMENTS INC. (US) 1994-10-11 US claimed
US-5283229-A A concentrate emulsions comprising an active materials, a surfactant and an amide solvent mixtures to dissolve, dispersing the water insoluble active materials; stability ISP INVESTMENTS INC. (US) 1994-02-01 US claimed
US-5250499-A Delivery system for agricultural chemicals ISP INVESTMENTS INC. (US) 1993-10-05 US claimed
EP-0505378-A4 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS 1993-03-10 EP claimed
WO-1993000809-A1 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS ISP INVESTMENTS INC. (US) 1993-01-21 WO claimed
US-5176736-A Emulsifiable herbicide concentrate ISP INVESTMENTS INC. (US) 1993-01-05 US claimed
US-5156666-A Emulsifiable concentrate comprising a pesticide, a surfactant, a hydrophobic solvent and a hydrophilic solvent; storage stability ISP INVESTMENTS INC. (US) 1992-10-20 US claimed
EP-0505378-A1 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS ISP INVESTMENTS INC. (US) 1992-09-30 EP claimed
US-5071463-A Stable, emulsifiable concentrate of an herbicide and pyrrolido ne derivative; dispersibility ISP INVESTMENTS INC. (US) 1991-12-10 US claimed
WO-1991008665-A1 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS ISP INVESTMENTS INC. (US) 1991-06-27 WO claimed
CN-112625153-A Catalyst component for olefin polymerization, preparation method, catalyst and application thereof 中国石油化工股份有限公司 2021-04-09 CN disclosed
US-10188100-B2 Matrix composition for delivery of hydrophobic actives HERCULES LLC 2019-01-29 US disclosed
WO-2011112768-A1 A PREFORMED CONCENTRATE FOR DELIVERY OF WATER INSOLUBLE FILM FORMING POLYMERS ISP INVESTMENTS INC. (US) 2011-09-15 WO disclosed
WO-2011085310-A1 A MATRIX COMPOSITION FOR DELIVERY OF HYDROPHOBIC ACTIVES ISP INVESTMENTS INC. (US) 2011-07-14 WO disclosed
WO-1993017787-A1 CATALYST AND METHOD FOR PRODUCTION OF ALKYL PYRROLIDONES ISP INVESTMENTS INC. (US) 1993-09-16 WO 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 (2 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-20130065759-A1 PREFORMED CONCENTRATE FOR DELIVERY OF WATER INSOLUBLE FILM FORMING POLYMERS PRR12, PLTP, PHOSPHO1 CYP1A2 3471/4885CHRNB2 4091/4885CHRNA7 3232/4885
US-10188100-B2 Matrix composition for delivery of hydrophobic actives PLOD3, ADH1A, COL2A1 CYP1A2 1606/4885CHRNB2 1618/4885CHRNA7 1574/4885

“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.