SCHEMBL18560976

SCHEMBL18560976

CCCN(C)CCOCCN(C)CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.36
THRB P10828 2/20 0.35
HTT P42858 1/20 0.35
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
MAPK1 P28482 1/20 0.33
THRA P10827 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SLC6A4 P31645 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL20084554 0.93 LMNA (0.47) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL10609160 0.91 TSHR (0.50) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL18572064 0.91 LMNA (0.51) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL24061839 0.88 HTR1D (0.38) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL8324832 0.86 TSHR (0.50) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL440570 0.85
SCHEMBL18306258 0.84 MEN1 (0.48) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL22062515 0.84 ALDH1A1 (0.52) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL235061 0.84 MAPT (0.50) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL22237392 0.84 HTR1D (0.36) LMNAALDH1A1MEN1KMT2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738820-B1 Urethane adhesive DOW GLOBAL TECHNOLOGIES LLC (US) 2017-08-22 US disclosed
US-20170218238-A1 URETHANE ADHESIVE ARKEMA FRANCE (FR) 2017-08-03 US disclosed
US-20170058077-A1 POLYETHER POLYOL PROVIDING GOOD BLOW-GEL BALANCE FOR POLYURETHANE PRODUCTS MADE THEREFROM DOW GLOBAL TECHNOLOGIES LLC (US) 2017-03-02 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-20170058077-A1 POLYETHER POLYOL PROVIDING GOOD BLOW-GEL BALANCE FOR POLYURETHANE PRODUCTS MADE THEREFROM PUF60, GNMT, UFM1 LMNA 2942/4885ALDH1A1 3106/4885MEN1 2873/4885

“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.