SCHEMBL14980592

SCHEMBL14980592

CCN(CC)CCN(CC)CCNCCN1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
RAD52 P43351 1/20 0.38
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.33
CXCR4 P61073 2/20 0.33
SIGMAR1 Q99720 2/20 0.31
RECQL P46063 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL14980594 0.95 HSD17B10 (0.41) HSD17B10CYP3A4CYP2D6ANPEPERAP2
SCHEMBL14980595 0.92 CYP3A4 (0.39) HSD17B10CYP3A4CYP2D6ANPEPERAP2
SCHEMBL14980612 0.89 ACE2 (0.47) HSD17B10CYP3A4CYP2D6ANPEPERAP2
SCHEMBL23812300 0.85 HSD17B10 (0.41) HSD17B10CYP3A4CYP2D6ANPEPERAP2
SCHEMBL19149179 0.85 ACE2 (0.42) ACE2RAD52ALDH1A1SIGMAR1
SCHEMBL19071417 0.83 HSD17B10 (0.34) HSD17B10CYP3A4CYP2D6ANPEPERAP2
SCHEMBL19071652 0.83 ACE2 (0.47) HSD17B10CYP3A4CYP2D6ANPEPERAP2
SCHEMBL19072145 0.83 POLB (0.39) HSD17B10RAD52ALDH1A1SMN1; SMN2POLB
SCHEMBL19148512 0.83 ACE2 (0.47) ACE2RAD52TSHRMEN1KMT2A
SCHEMBL14980626 0.81 ACE2 (0.45) ACE2MEN1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556110-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-01-31 US disclosed
US-20150203439-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2015-07-23 US disclosed
US-8969353-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-03-03 US disclosed
US-8450298-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-28 US disclosed
US-20110293703-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-12-01 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 (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-20150203439-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT HSD17B10 953/4885CYP3A4 1283/4885CYP2D6 790/4885
US-20110293703-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT HSD17B10 953/4885CYP3A4 1283/4885CYP2D6 790/4885

“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.