SCHEMBL46077

SCHEMBL46077

CCCc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
S1PR1 P21453 2/20 0.52
NR1H4 Q96RI1 1/20 0.52
EGFR P00533 1/20 0.51
S1PR4 O95977 1/20 0.51
S1PR5 Q9H228 1/20 0.51
TP53 P04637 3/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.43
NOTUM Q6P988 1/20 0.43
QPCT Q16769 1/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
IKBKB O14920 1/20 0.40

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
SCHEMBL46425 0.98 KDM4E (0.55) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL20873240 0.91 NPC1 (0.54) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL18648549 0.89 NPC1 (0.53) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL13340753 0.88 MAPT (0.53) KDM4ENPC1RAB9ATP53POLB
SCHEMBL14177090 0.85 NPC1 (0.58) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL9342323 0.85 NPC1 (0.62) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL3651463 0.84 KDM4E (0.54) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL3293191 0.84 NPC1 (0.75) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL2623780 0.84 NPC1 (0.75) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL12376917 0.83 S1PR1 (0.47) KDM4ENPC1RAB9AS1PR1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598450-B2 Emissive compounds for organic light-emitting diodes NITTO DENKO CORPORATION (JP) 2017-03-21 US disclosed
US-20130087772-A1 EMISSIVE COMPOUNDS FOR ORGANIC LIGHT-EMITTING DIODES NITTO DENKO CORPORATION (JP) 2013-04-11 US disclosed
WO-2011149500-A1 EMISSIVE COMPOUNDS FOR ORGANIC LIGHT-EMITTING DIODES NITTO DENKO CORPORATION (JP) 2011-12-01 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-20130087772-A1 EMISSIVE COMPOUNDS FOR ORGANIC LIGHT-EMITTING DIODES CRY2, PPOX, CRY1 KDM4E 2868/4885NPC1 4619/4885RAB9A 3381/4885

“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.