SCHEMBL18565611

SCHEMBL18565611

c1ccc2c(c1)oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)n3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
AHR P35869 2/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
PLA2G2A P14555 4/20 0.33
PLA2G4A P47712 4/20 0.33
TSHR P16473 1/20 0.33
CHEK2 O96017 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL18565668 0.94 NPC1 (0.38) AHRNPC1RAB9AMEN1KMT2A
SCHEMBL18565556 0.94 HCRTR1 (0.38) HCRTR1AHRNPC1RAB9AATM
SCHEMBL18565617 0.92 AHR (0.41) HCRTR1AHRNPC1RAB9AATM
SCHEMBL18566318 0.92 CHEK2 (0.35) HCRTR1AHRNPC1RAB9AATM
SCHEMBL15394794 0.90 PRKDC (0.46) HCRTR1AHRNPC1RAB9AATM
SCHEMBL18566292 0.88 KDM4E (0.41) AHRNPC1RAB9AATMMEN1
SCHEMBL18566294 0.88 KDM4E (0.41) AHRNPC1RAB9AATMMEN1
SCHEMBL18566314 0.88 KDM4E (0.41) AHRNPC1RAB9AATMMEN1
SCHEMBL18566310 0.88 KDM4E (0.41) AHRNPC1RAB9AATMMEN1
SCHEMBL18566288 0.88 KDM4E (0.38) AHRATMKDM4EPLA2G2APLA2G4A

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-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-05-14 US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 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 (2 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-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device EED, BMI1, CD99 HCRTR1 4165/4885AHR 361/4885NPC1 2005/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 HCRTR1 4165/4885AHR 361/4885NPC1 2005/4885

“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.