SCHEMBL17094573

SCHEMBL17094573

O=C1OCCN(Cc2ccccc2)CCO1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.61
FAAH O00519 1/20 0.55
CYP2D6 P10635 1/20 0.53
MC4R P32245 1/20 0.52
DRD4 P21917 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
ACHE P22303 1/20 0.49
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL2902591 0.82 SIGMAR1 (0.52) SIGMAR1FAAHCYP2D6MC4RDRD4
SCHEMBL102338 0.80 SIGMAR1 (0.71) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL6200777 0.80 SIGMAR1 (0.71) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL28158277 0.79 SIGMAR1 (0.68) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL948372 0.79 SIGMAR1 (0.68) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL896379 0.79 SIGMAR1 (0.68) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL18065638 0.79 SIGMAR1 (0.68) SIGMAR1MC4RDRD4LMNAPOLB
Water SCHEMBL1702298 0.79 SIGMAR1 (0.68) SIGMAR1MC4RDRD4LMNAPOLB
Hydrochloric Acid SCHEMBL6261135 0.79 SIGMAR1 (0.68) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1415730 0.77 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951179-B2 Cyclic carbonate monomers and ring opened polycarbonates therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-04-24 US disclosed
US-9951179-B2 Cyclic carbonate monomers and ring opened polycarbonates therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-04-24 US disclosed
US-20170158811-A1 CYCLIC CARBONATE MONOMERS AND RING OPENED POLYCARBONATES THEREFROM INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-06-08 US disclosed
US-20170158811-A1 CYCLIC CARBONATE MONOMERS AND RING OPENED POLYCARBONATES THEREFROM INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-06-08 US disclosed
US-20170158811-A1 CYCLIC CARBONATE MONOMERS AND RING OPENED POLYCARBONATES THEREFROM INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-06-08 US disclosed
US-9624191-B2 Cyclic carbonate monomers and ring opened polycarbonates therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-04-18 US disclosed
US-9622476-B2 1,3,6-dioxazocan-2-ones and antimicrobial cationic polycarbonates therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-04-18 US disclosed
US-9622476-B2 1,3,6-dioxazocan-2-ones and antimicrobial cationic polycarbonates therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-04-18 US disclosed
US-9622476-B2 1,3,6-dioxazocan-2-ones and antimicrobial cationic polycarbonates therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-04-18 US disclosed
US-9624191-B2 Cyclic carbonate monomers and ring opened polycarbonates therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-04-18 US disclosed
US-20160081343-A1 1,3,6-DIOXAZOCAN-2-ONES AND ANTIMICROBIAL CATIONIC POLYCARBONATES THEREFROM INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-03-24 US disclosed
US-20160009860-A1 CYCLIC CARBONATE MONOMERS AND RING OPENED POLYCARBONATES THEREFROM AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-01-14 US disclosed
US-20160009860-A1 CYCLIC CARBONATE MONOMERS AND RING OPENED POLYCARBONATES THEREFROM AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-01-14 US disclosed
US-20160009860-A1 CYCLIC CARBONATE MONOMERS AND RING OPENED POLYCARBONATES THEREFROM AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-01-14 US disclosed
US-9215876-B2 1,3,6-dioxazocan-2-ones and antimicrobial cationic polycarbonates therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-12-22 US disclosed
US-9215876-B2 1,3,6-dioxazocan-2-ones and antimicrobial cationic polycarbonates therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-12-22 US disclosed
US-9215876-B2 1,3,6-dioxazocan-2-ones and antimicrobial cationic polycarbonates therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-12-22 US disclosed
US-20150264932-A1 1,3,6-DIOXAZOCAN-2-ONES AND ANTIMICROBIAL CATIONIC POLYCARBONATES THEREFROM AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-24 US disclosed
US-20150264932-A1 1,3,6-DIOXAZOCAN-2-ONES AND ANTIMICROBIAL CATIONIC POLYCARBONATES THEREFROM AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-24 US disclosed
US-20150264932-A1 1,3,6-DIOXAZOCAN-2-ONES AND ANTIMICROBIAL CATIONIC POLYCARBONATES THEREFROM AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-24 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 (4 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-20150264932-A1 1,3,6-DIOXAZOCAN-2-ONES AND ANTIMICROBIAL CATIONIC POLYCARBONATES THEREFROM WEE1, WEE2, THEM6 SIGMAR1 930/4885FAAH 4785/4885CYP2D6 857/4885
US-20160009860-A1 CYCLIC CARBONATE MONOMERS AND RING OPENED POLYCARBONATES THEREFROM ACMSD, CARM1, PBRM1 SIGMAR1 1218/4885FAAH 2418/4885CYP2D6 3824/4885
US-20160081343-A1 1,3,6-DIOXAZOCAN-2-ONES AND ANTIMICROBIAL CATIONIC POLYCARBONATES THEREFROM WEE1, WEE2, THEM6 SIGMAR1 930/4885FAAH 4785/4885CYP2D6 857/4885
US-20170158811-A1 CYCLIC CARBONATE MONOMERS AND RING OPENED POLYCARBONATES THEREFROM ACMSD, CARM1, PBRM1 SIGMAR1 1218/4885FAAH 2418/4885CYP2D6 3824/4885

“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.