SCHEMBL19767460

SCHEMBL19767460

c1ccc2c(c1)oc1ccc(-c3cnc4c(ccc5cc(-c6ccc7oc8ccccc8c7c6)cnc54)c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
LMNA P02545 1/20 0.40
AHR P35869 2/20 0.40
CHEK2 O96017 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
GRM4 Q14833 1/20 0.39
PLA2G2A P14555 2/20 0.38
PLA2G4A P47712 2/20 0.38

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
SCHEMBL19767375 0.98 NPC1 (0.42) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL15582305 0.91 CCR1 (0.43) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL20042397 0.90 CASP3 (0.37) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL15394436 0.90 CCR1 (0.43) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL17899354 0.88 CASP3 (0.38) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL15394594 0.86 CCR1 (0.42) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL20726844 0.86 CCR1 (0.39) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL20726843 0.85 CCR1 (0.41) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL21791117 0.84 CCR1 (0.44) NPC1MAPTKDM4ERAB9AALDH1A1
SCHEMBL17899343 0.84 MAPT (0.42) NPC1MAPTKDM4ERAB9AALDH1A1

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
EP-2896621-B1 NOVEL COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO (JP) 2018-04-25 EP disclosed
US-20180102484-A1 NEW COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-04-12 US disclosed
US-20180102484-A1 NEW COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-04-12 US disclosed
US-9871206-B2 Compound, organic electroluminescence device material, organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-01-16 US disclosed
US-9871206-B2 Compound, organic electroluminescence device material, organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-01-16 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-20180102484-A1 NEW COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE CBX8, MLX, HAX1 NPC1 3617/4885MAPT 3591/4885KDM4E 1912/4885

“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.