SCHEMBL13488117

SCHEMBL13488117

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6ccccc6n5)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
NPC1 O15118 8/20 0.36
RAB9A P51151 8/20 0.36
SMN1; SMN2 Q16637 7/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 3/20 0.36
AR P10275 7/20 0.35
CYP1A2 P05177 3/20 0.35
MAPT P10636 4/20 0.35
CYP3A4 P08684 3/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL13488046 0.97 SMN1; SMN2 (0.36) PTGS2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13487894 0.97 PDK2 (0.35) PTGS2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13487718 0.97 NPC1 (0.36) PTGS2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13487973 0.94 AR (0.34) PTGS2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13487822 0.92 AR (0.38) PTGS2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13487661 0.91 NPC1 (0.36) PTGS2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13487508 0.91 NPC1 (0.35) PTGS2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13487354 0.91 AR (0.34) PTGS2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13487597 0.88 NPC1 (0.34) PTGS2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13487439 0.87 AR (0.37) PTGS2NPC1RAB9ASMN1; SMN2ALDH1A1

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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 PTGS2 1210/4885NPC1 1139/4885RAB9A 3244/4885

“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.