SCHEMBL21717624

SCHEMBL21717624

c1ccc2cc(-c3ccc(-c4cccc5c4c4cccc6c7c(-c8ccc(-c9ccc%10ccccc%10c9)cc8)cccc7n5c46)cc3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
GSTP1 P09211 1/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
ALOX5 P09917 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PIM1 P11309 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL21718239 0.94 GSTP1 (0.43) ESR1ESR2HSD17B1HSD17B2GSTP1
SCHEMBL21718333 0.85 HSD17B10 (0.40) GSTP1ALDH1A1
SCHEMBL21717625 0.84 HDAC8 (0.46) CA1CA2CA9CA12HDAC8
SCHEMBL21718027 0.84 KDM4E (0.38) CA1CA2CA9CA12KDM4E
SCHEMBL21718018 0.84 HSD17B10 (0.45) CA1CA2CA9CA12HDAC8
SCHEMBL21718311 0.81 PRKDC (0.36) PIM1KDM4ENPC1MAPTRAB9A
SCHEMBL22707561 0.80 PIM1 (0.33) HSD17B1HSD17B2GSTP1ALOX5HDAC4
SCHEMBL21718297 0.78 ESR1 (0.40) ESR1ESR2HSD17B1HSD17B2GSTP1
SCHEMBL25459782 0.77 TSPO (0.39) PIM1KDM4ENPC1ALDH1A1POLB
SCHEMBL25459788 0.77 TSPO (0.39) PIM1KDM4ENPC1ALDH1A1POLB

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-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 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-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 ESR1 7/4885ESR2 3/4885HSD17B1 2764/4885

“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.