SCHEMBL17850950

SCHEMBL17850950

O=c1c2ccccc2oc2cc(-c3ccc(N4c5ccccc5-c5ccccc5Oc5ccccc5-c5ccccc54)cc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.46
RAB9A P51151 6/20 0.46
ATM Q13315 1/20 0.46
HCRTR1 O43613 1/20 0.45
MAOA P21397 5/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
PGAM1 P18669 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TTR P02766 2/20 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
SCHEMBL17850949 0.91 PTGER4 (0.47) NPC1RAB9AHCRTR1MAOAKDM4E
SCHEMBL17850864 0.89 NPC1 (0.39) NPC1RAB9AATMHCRTR1MAOA
SCHEMBL17883177 0.87 PTGER4 (0.42) NPC1RAB9AMAOAKDM4EALDH1A1
SCHEMBL17850855 0.85 NPC1 (0.45) NPC1RAB9AATMHCRTR1MAOA
SCHEMBL17752255 0.84 NPC1 (0.43) NPC1RAB9AATMHCRTR1MAOA
SCHEMBL17752246 0.81 NPC1 (0.45) NPC1RAB9AATMHCRTR1MAOA
SCHEMBL17850971 0.81 KDM4E (0.36) NPC1RAB9AHCRTR1MAOAKDM4E
SCHEMBL19319618 0.80 MAOA (0.50) NPC1RAB9AHCRTR1MAOAKDM4E
SCHEMBL17883142 0.80 PTGER4 (0.39) NPC1RAB9AMAOAKDM4EALDH1A1
SCHEMBL18884659 0.80 NPC1 (0.51) NPC1RAB9AATMHCRTR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND KYULUX, INC. (JP) 2017-07-27 US disclosed
US-20170163010-A1 ORGANIC LIGHT-EMITTING ELEMENT KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2017-06-08 US disclosed
EP-3171421-A1 ORGANIC LIGHT-EMITTING ELEMENT Kyushu University, National University Corporation (JP) 2017-05-24 EP disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed
EP-3035401-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Kyushu University, National University Corporation (JP) 2016-06-22 EP 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-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND CRY1, CRY2, CYBA NPC1 3146/4885RAB9A 4082/4885ATM 3303/4885

“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.