SCHEMBL805082

SCHEMBL805082

c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccc(-[n+]4c(-c5ccccc5)cc(-c5ccccc5)cc4-c4ccccc4)cc3)c(-c3ccccc3)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.77
RAB9A P51151 9/20 0.77
NTSR1 P30989 3/20 0.77
HTT P42858 3/20 0.77
MAPK1 P28482 2/20 0.77
NPSR1 Q6W5P4 2/20 0.77
KDM4E B2RXH2 2/20 0.77
UHRF1 Q96T88 1/20 0.77
NR2F2 P24468 1/20 0.70
RAD52 P43351 1/20 0.70
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MAPT P10636 2/20 0.64
LMNA P02545 1/20 0.64
NPY1R P25929 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CA2 P00918 4/20 0.62
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62

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
SCHEMBL11533950 0.95 NPC1 (0.84) NPC1RAB9ANTSR1HTTMAPK1
Water SCHEMBL29507345 0.90 NPC1 (0.70) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL17971498 0.90 NPC1 (0.65) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL4250857 0.90 RAB9A (0.87) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL17971504 0.90 NPC1 (0.65) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL1501554 0.89 NPC1 (0.75) NPC1RAB9ANTSR1HTTMAPK1
Water SCHEMBL1713389 0.88 RAB9A (0.84) NPC1RAB9ANTSR1HTTMAPK1
Perchlorate SCHEMBL11536227 0.87 NPC1 (1.00) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL12731966 0.87 NPC1 (0.65) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL19678411 0.85 NPC1 (0.88) NPC1RAB9ANTSR1HTTMAPK1

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-20120069418-A1 ELECTROCHROMIC FORMULATION, METHOD FOR THE PRODUCTION THEREOF, AND ORGANIC ELECTROCHROMIC COMPONENT SIEMENS AKTIENGESELLSCHAFT (DE) 2012-03-22 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-20120069418-A1 ELECTROCHROMIC FORMULATION, METHOD FOR THE PRODUCTION THEREOF, AND ORGANIC ELECTROCHROMIC COMPONENT HCN2, EPX, HCN4 NPC1 4367/4885RAB9A 2138/4885NTSR1 4739/4885

“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.