SCHEMBL3079468

SCHEMBL3079468

C=CCNCCCCCO

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM1A O60341 3/20 0.38
SMOX Q9NWM0 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 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
SCHEMBL31532956 1.00 PAOX (0.39) PAOXGAAKMT2AKDM1ASMOX
SCHEMBL2363863 1.00 PAOX (0.39) PAOXGAAKMT2AKDM1ASMOX
SCHEMBL20262062 1.00 PAOX (0.39) PAOXGAAKMT2AKDM1ASMOX
SCHEMBL2363695 1.00 PAOX (0.39) PAOXGAAKMT2AKDM1ASMOX
SCHEMBL7040220 0.98
Hydrochloric Acid SCHEMBL28130617 0.95 SMOX (0.43) PAOXGAAKMT2AKDM1ASMOX
SCHEMBL1083160 0.90
Hydrochloric Acid SCHEMBL27952728 0.88
SCHEMBL17291817 0.87 PAOX (0.48) PAOXGAAKMT2AKDM1ASMOX
SCHEMBL5611725 0.87 PAOX (0.48) PAOXGAAKMT2AKDM1ASMOX

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
WO-2020113233-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-06-04 WO disclosed
US-7777073-B2 Topical delivery system for antiaging and skin whitening agents BIODERM RESEARCH (US) 2010-08-17 US disclosed
US-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 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-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents TYR, MMP17, MMP1 PAOX 149/4885GAA 232/4885KMT2A 2383/4885

“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.