SCHEMBL25112778

SCHEMBL25112778

c1cnc2ccc(-c3ccc4cc(-c5cc6ccc7cccc8c9cccc%10ccc%11cccc(c(c5)c6c78)c%11c%109)ccc4c3)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
DYRK1A Q13627 1/20 0.55
MCL1 Q07820 1/20 0.45
GRM4 Q14833 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL25112888 0.88 POLB (0.54) POLBNPC1RAB9ADYRK1AMCL1
SCHEMBL25112602 0.85 NPC1 (0.50) POLBNPC1RAB9ADYRK1AMCL1
SCHEMBL25112780 0.84 BIRC5 (0.52) GRM4ALDH1A1HSD17B10CYP1A2ERBB2
SCHEMBL17692060 0.82 POLB (0.62) POLBNPC1RAB9ADYRK1AMCL1
SCHEMBL15424259 0.81 NPC1 (0.49) POLBNPC1RAB9ADYRK1AMCL1
SCHEMBL17691969 0.81 NPC1 (0.55) POLBNPC1RAB9ADYRK1AMCL1
SCHEMBL25112830 0.81 CCR1 (0.46) POLBNPC1RAB9ADYRK1ACYP3A4
SCHEMBL25112806 0.80 CYP1A2 (0.43) NPC1RAB9ADYRK1ACYP3A4ALDH1A1
SCHEMBL25112779 0.80 CYP1A2 (0.43) NPC1RAB9ADYRK1ACYP3A4ALDH1A1
SCHEMBL17229083 0.80 NPC1 (0.68) POLBNPC1RAB9ADYRK1AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230085328-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-03-16 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-20230085328-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, PIEZO1, LEF1 POLB 1753/4885NPC1 2399/4885RAB9A 1606/4885

“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.