SCHEMBL878944

SCHEMBL878944

CCNCCNCCCNCCN

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
GLA P06280 1/20 0.72
CYP1A2 P05177 3/20 0.68
CA12 O43570 5/20 0.67
CA6 P23280 5/20 0.67
CA7 P43166 5/20 0.67
CA9 Q16790 5/20 0.67
CA14 Q9ULX7 5/20 0.67
CA5B Q9Y2D0 5/20 0.67
CA2 P00918 4/20 0.67
CA4 P22748 4/20 0.67
CA5A P35218 4/20 0.67
CA3 P07451 3/20 0.67
ALOX15 P16050 3/20 0.61
LMNA P02545 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
CA1 P00915 2/20 0.61
ALDH1A1 P00352 1/20 0.61

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
SCHEMBL23936863 0.97 CYP2C19 (0.77) CYP2C19MEN1KMT2AGLACYP1A2
Ammonia Solution, Strong SCHEMBL3073269 0.94 CYP2C19 (0.72) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL1247701 0.94 CA12 (0.69) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL911151 0.94
SCHEMBL10081836 0.94 CA12 (0.69) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL18427300 0.94 CA12 (0.69) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL878956 0.94 CA12 (0.69) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL29753241 0.92 CYP2C19 (0.68) CYP2C19MEN1KMT2AGLACYP1A2
SCHEMBL29054916 0.92 CYP2C19 (0.68) CYP2C19MEN1KMT2AGLACYP1A2
Ammonia Solution, Strong SCHEMBL3076469 0.92 CA12 (0.65) CYP2C19MEN1KMT2AGLACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137553-A1 GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-18 US disclosed
US-9468650-B2 Inhibition of endosomal toll-like receptor activation DUKE UNIVERSITY (US) 2016-10-18 US disclosed
US-8143413-B2 Polycationized phospholipid derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-03-27 US disclosed
US-20100094020-A1 POLYCATIONIZED PHOSPHOLIPID DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 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-20100094020-A1 POLYCATIONIZED PHOSPHOLIPID DERIVATIVES PHOSPHO1, PLTP, PTDSS2 CYP2C19 4322/4885MEN1 2015/4885KMT2A 2297/4885

“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.