SCHEMBL21164243

SCHEMBL21164243

CCCNCC(C)CCCNCCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 3/20 0.43
CA6 P23280 3/20 0.43
CA5A P35218 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA5B Q9Y2D0 3/20 0.43
CASP2 P42575 2/20 0.43
F13A1 P00488 2/20 0.43
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 2/20 0.43
THPO P40225 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA3 P07451 2/20 0.41

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
SCHEMBL2107512 0.92 CA12 (0.50) CA12CA2CA4CA6CA5A
SCHEMBL21799519 0.86 CA12 (0.42) CA12CA2CA4CA6CA5A
SCHEMBL30292581 0.86 CA12 (0.46) CA12CA2CA4CA6CA5A
SCHEMBL21982018 0.85 CA12 (0.48) CA12CA2CA4CA6CA5A
SCHEMBL14413917 0.84 CA12 (0.50) CA12CA2CA4CA6CA5A
SCHEMBL21164239 0.84 OPRM1 (0.38) TSHRANPEPPAOXALDH1A1
SCHEMBL22897317 0.83 ALDH1A1 (0.50) TSHRANPEPPAOXALDH1A1
SCHEMBL26250240 0.82 ALDH1A1 (0.42) CYP1A2MEN1CYP2C19KMT2ATSHR
SCHEMBL11598528 0.82 ANPEP (0.39) TSHRANPEP
SCHEMBL21800062 0.81 TSHR (0.44) CA12CA2CA4CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2019-07-16 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-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG CA12 1122/4885CA2 2259/4885CA4 2013/4885

“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.