SCHEMBL12306756

SCHEMBL12306756

CC(C)(C)c1ccc(-c2nnc(-c3cccc(-c4cccc(-c5cccc(-c6nnc(-c7ccc(C(C)(C)C)cc7)o6)c5)c4)c3)o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.60
RAB9A P51151 12/20 0.60
KDM4E B2RXH2 4/20 0.60
S1PR1 P21453 1/20 0.59
SMN1; SMN2 Q16637 8/20 0.55
HPGD P15428 4/20 0.55
NPSR1 Q6W5P4 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
TSHR P16473 3/20 0.53
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
TP53 P04637 5/20 0.51
POLB P06746 3/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HSD17B10 Q99714 1/20 0.51
EGFR P00533 1/20 0.50
NFKB1 P19838 2/20 0.49

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
SCHEMBL30083 0.98 NPC1 (0.62) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL12306751 0.97 NPC1 (0.60) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL1421139 0.95 S1PR1 (0.58) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL12354585 0.95 S1PR1 (0.61) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL19072498 0.92 NPC1 (0.55) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL12309409 0.92 NPC1 (0.63) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL966614 0.91 NPC1 (0.54) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL12920434 0.91 NPC1 (0.69) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL12306758 0.90 NPC1 (0.50) NPC1RAB9AKDM4ES1PR1SMN1; SMN2
SCHEMBL966647 0.89 NPC1 (0.53) 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 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 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.