SCHEMBL12306754

SCHEMBL12306754

CC(C)c1nnc(-c2cccc(-c3cccc(-c4cccc(-c5nnc(C(C)C)o5)c4)c3)c2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.50
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
ALDH1A1 P00352 5/20 0.47
TSHR P16473 4/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 3/20 0.43
MECP2 P51608 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL12306749 0.93 ALDH1A1 (0.49) AAK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12306760 0.88 AAK1 (0.43) AAK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2466646 0.86 RAB9A (0.63) AAK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16635836 0.86 MECP2 (0.63) AAK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL823534 0.85 ALDH1A1 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL23603989 0.84 NOTUM (0.54) AAK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6978766 0.81 ALDH1A1 (0.64) AAK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16636349 0.80 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL26206888 0.77 NPY2R (0.43) AAK1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17516274 0.77 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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-8475939-B2 m-terphenyl compound derivatives and application for organic light emitting diode NATIONAL TSING HUA UNIVERSITY (TW) 2013-07-02 US disclosed
US-8475939-B2 m-terphenyl compound derivatives and application for organic light emitting diode NATIONAL TSING HUA UNIVERSITY (TW) 2013-07-02 US disclosed
US-20110220880-A1 m-TERPHENYL COMPOUND DERIVATIVES AND APPLICATION FOR ORGANIC LIGHT EMITTING DIODE E INK HOLDINGS INC. (TW) 2011-09-15 US disclosed
US-20110220880-A1 m-TERPHENYL COMPOUND DERIVATIVES AND APPLICATION FOR ORGANIC LIGHT EMITTING DIODE E INK HOLDINGS INC. (TW) 2011-09-15 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-20110220880-A1 m-TERPHENYL COMPOUND DERIVATIVES AND APPLICATION FOR ORGANIC LIGHT EMITTING DIODE CLTB, CYBA, C5 AAK1 3793/4885NPC1 425/4885RAB9A 2484/4885

“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.