SCHEMBL12306751

SCHEMBL12306751

CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4cccc(-c5ccc(-c6nnc(-c7ccc(C(C)(C)C)cc7)o6)cc5)c4)cc3)o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.60
RAB9A P51151 10/20 0.60
KDM4E B2RXH2 5/20 0.60
S1PR1 P21453 1/20 0.59
SMN1; SMN2 Q16637 7/20 0.51
HPGD P15428 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
POLB P06746 3/20 0.50
TP53 P04637 3/20 0.50
EGFR P00533 1/20 0.50
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL12306756 0.97 NPC1 (0.60) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL1421139 0.95 S1PR1 (0.58) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL30083 0.95 NPC1 (0.62) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL12354585 0.92 S1PR1 (0.61) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL10330370 0.91 NPC1 (0.64) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL12570671 0.89 NPC1 (0.64) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL31606600 0.89 NPC1 (0.64) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL74782 0.89 S1PR1 (0.67) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
Biphenyl SCHEMBL28899764 0.89 S1PR1 (0.67) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL2623779 0.89 S1PR1 (0.67) NPC1RAB9AKDM4ES1PR1SMN1; SMN2

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 6 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
WO-2010045263-A2 PRINTABLE LIGHT-EMITTING COMPOSITIONS NITTO DENKO CORPORATION (JP) 2010-04-22 WO disclosed
WO-2009006550-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2009-01-08 WO 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 NPC1 425/4885RAB9A 2484/4885KDM4E 4240/4885

“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.