SCHEMBL16638646

SCHEMBL16638646

NC(=O)CCN(CCC(N)=O)CCN(CCO)CCO

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EYA2 O00167 1/20 0.31
APP P05067 1/20 0.31
ACE P12821 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 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
SCHEMBL16638620 1.00 ALOX15 (0.41) ALOX15KDM4EMAPTSMN1; SMN2EYA2
SCHEMBL3109742 0.97 ALOX15 (0.38) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL20998889 0.89 TDP1 (0.36) ALOX15KDM4EEYA2APPACE
SCHEMBL808456 0.89 TDP1 (0.36) ALOX15KDM4EEYA2APPACE
SCHEMBL899927 0.87 TDP1 (0.37) ALOX15KDM4EEYA2APPACE
SCHEMBL3319762 0.84 CYP1A2 (0.44) ALOX15KDM4EMAPTSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL9711107 0.84 ALOX15 (0.35) ALOX15KDM4EEYA2APPACE
Ammonia Solution, Strong SCHEMBL10870270 0.84 ALOX15 (0.35) ALOX15KDM4EEYA2APPACE
SCHEMBL16638621 0.82 PAOX (0.31)
Trolamine SCHEMBL14990729 0.81 KDM4E (0.44) ALOX15KDM4EMAPTSMN1; SMN2EYA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-14 US disclosed
US-9006487-B2 Amine-containing lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-14 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-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF PHOSPHO1, CHMP4B, SGMS1 ALOX15 499/4885KDM4E 2172/4885MAPT 1879/4885

“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.