SCHEMBL18711564

SCHEMBL18711564

CCS(c1ccccc1)(c1ccccc1)c1ccc2nc3oc4ccccc4n3c2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
ACSS2 Q9NR19 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
CXCL8 P10145 1/20 0.31
NOD1 Q9Y239 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
POLB P06746 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL18711297 0.91 RAB9A (0.42) NPC1RAB9AACSS2SMN1; SMN2GAA
SCHEMBL22198413 0.78 NPC1 (0.35) NPC1RAB9AACSS2
SCHEMBL20041705 0.77 RAB9A (0.48) NPC1RAB9AACSS2SMN1; SMN2ALDH1A1
SCHEMBL17507245 0.75 NPC1 (0.51) NPC1RAB9AACSS2SMN1; SMN2GAA
SCHEMBL18711213 0.75 ACSS2 (0.37) ACSS2ALDH1A1CA1
SCHEMBL17507363 0.74 NPC1 (0.54) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL18711220 0.74 KDM4E (0.45) NPC1RAB9AACSS2SMN1; SMN2ALDH1A1
SCHEMBL18701299 0.74 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL17491659 0.73 NPC1 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL20041633 0.72 NPC1 (0.51) NPC1RAB9AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200220085-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2020-07-09 US disclosed
US-20170098783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2017-04-06 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 (2 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-20170098783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES EED, EML4, MT-ND4L NPC1 4669/4885RAB9A 1859/4885ACSS2 4083/4885
US-20200220085-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES EED, EML4, MT-ND4L NPC1 4669/4885RAB9A 1859/4885ACSS2 4083/4885

“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.