SCHEMBL21164238

SCHEMBL21164238

CC(N)CCNCCCC(C)CNCCCCCCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
F13A1 P00488 2/20 0.42
CA2 P00918 2/20 0.42
CYP1A2 P05177 2/20 0.42
ALOX15 P16050 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
THPO P40225 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA1 P00915 1/20 0.42
CA3 P07451 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
MTOR P42345 1/20 0.42
LMNA P02545 1/20 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
SCHEMBL21164235 1.00 CA12 (0.42) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL14163247 0.88 CA12 (0.54) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL12227390 0.88 CA12 (0.54) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL14519033 0.86 CA12 (0.56) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL5810196 0.86 CA12 (0.56) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL344818 0.86 CA12 (0.56) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL21131130 0.84 CA12 (0.54) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL21131129 0.84 CA12 (0.54) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL6030226 0.84 CA12 (0.56) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL2107512 0.84 CA12 (0.50) CA12F13A1CA2CYP1A2ALOX15

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 1122/4885F13A1 2516/4885CA2 2259/4885

“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.