SCHEMBL17401307

SCHEMBL17401307

CN(CCCN(C)CCN(CCO)CCO)CCN(CCO)CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CHRM2 P08172 2/20 0.35
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 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
SCHEMBL6233208 0.90 MAPT (0.41) MAPTCA12CA2CA3CA4
SCHEMBL13201991 0.89 MAPT (0.45) MAPTCA12CA2CA3CA4
SCHEMBL20835926 0.89 MAPT (0.45) MAPTCA12CA2CA3CA4
SCHEMBL13989311 0.89 MAPT (0.45) MAPTCA12CA2CA3CA4
SCHEMBL5911243 0.86 MAPT (0.43) MAPTCA12CA2CA3CA4
SCHEMBL21117178 0.86 CA12 (0.38) MAPTCA12CA2CA3CA4
SCHEMBL12440392 0.86 S1PR2 (0.37) MAPTCA12CA9SMN1; SMN2HSD17B10
SCHEMBL17401300 0.86 MAPT (0.47) MAPTCA12CA2CA3CA4
SCHEMBL5179682 0.85 MAPT (0.50) MAPTCA12CA2CA3CA4
SCHEMBL5180652 0.83 CYP1A2 (0.41) MAPTCHRM2CYP1A2CYP2C9HPGD

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-9840479-B2 Polyamine-fatty acid derived lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-12-12 US disclosed
US-9840479-B2 Polyamine-fatty acid derived lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-12-12 US disclosed
WO-2016004202-A1 POLYAMINE-FATTY ACID DERIVED LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-07 WO disclosed
US-20160002178-A1 POLYAMINE-FATTY ACID DERIVED LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-07 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 MAPT 3791/4885CA12 4831/4885CA2 4645/4885

“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.