SCHEMBL22178786

SCHEMBL22178786

c1ccc(-c2ccccc2-c2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.76
MAP3K11 Q16584 2/20 0.56
GUSB P08236 3/20 0.52
GLO1 Q04760 1/20 0.51
MET P08581 1/20 0.47
AHR P35869 4/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TRPA1 O75762 1/20 0.47
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
ADK P55263 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
NR4A2 P43354 2/20 0.46

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
SCHEMBL446619 0.86 NPC1 (1.00) NPC1MAP3K11GUSBGLO1AHR
SCHEMBL30587350 0.86 NPC1 (1.00) NPC1MAP3K11GUSBGLO1AHR
SCHEMBL28210414 0.85 NPC1 (0.96) NPC1MAP3K11GUSBGLO1AHR
SCHEMBL16918805 0.84 NPC1 (0.62) NPC1MAP3K11GUSBGLO1AHR
SCHEMBL20120884 0.83 NPC1 (0.92) NPC1MAP3K11GLO1AHRCA1
Indole SCHEMBL29263536 0.82 TRPA1 (0.71) NPC1MAP3K11GUSBGLO1AHR
SCHEMBL22178774 0.82 NPC1 (0.61) NPC1MAP3K11GUSBMETAHR
SCHEMBL31504070 0.82 NPC1 (0.61) NPC1MAP3K11GUSBMETAHR
SCHEMBL398355 0.82 NPC1 (0.61) NPC1MAP3K11GUSBAHRCA1
SCHEMBL27500073 0.82 GUSB (0.68) NPC1MAP3K11GUSBGLO1CA1

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-20200212315-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND COMPOUND IDEMITSU KOSAN CO.,LTD. (JP) 2020-07-02 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-20200212315-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND COMPOUND OR10J3, ESR1, NFE2L2 NPC1 3282/4885MAP3K11 2430/4885GUSB 4716/4885

“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.