SCHEMBL17401258

SCHEMBL17401258

CC(=O)OCCN(CCOC(C)=O)CCN(CCN(CCOC(C)=O)CCOC(C)=O)CCN(CCOC(C)=O)CCOC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CHRM5 P08912 3/20 0.46
CHRM1 P11229 3/20 0.46
CHRM3 P20309 3/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
TSHR P16473 2/20 0.46
PGR P06401 1/20 0.46
HTR1A P08908 1/20 0.46
TBXA2R P21731 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNA10 Q9GZZ6 1/20 0.46
CHRNA9 Q9UGM1 1/20 0.46
GALR3 O60755 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL65758 0.97 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL7796998 0.90 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL17401253 0.89 ALDH1A1 (0.40) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL17401257 0.89 ALDH1A1 (0.40) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL15221517 0.88 ALDH1A1 (0.43) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL1909276 0.88 ALDH1A1 (0.43) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL17401256 0.87 ALDH1A1 (0.46) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL22354444 0.87 NAAA (0.44) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL10357699 0.86 ALDH1A1 (0.41) ALDH1A1CHRM5CHRM1CHRM3CHRM2
SCHEMBL24415206 0.85 ALDH1A1 (0.38) ALDH1A1CHRM5CHRM1CHRM3CHRM2

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-9840479-B2 Polyamine-fatty acid derived lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-12-12 US disclosed
US-20160002178-A1 POLYAMINE-FATTY ACID DERIVED LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-07 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-20160002178-A1 POLYAMINE-FATTY ACID DERIVED LIPIDOIDS AND USES THEREOF SGMS2, SGMS1, ARG2 ALDH1A1 2532/4885CHRM5 4013/4885CHRM1 4388/4885

“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.