SCHEMBL21718239

SCHEMBL21718239

c1ccc2cc(-c3cccc4c3c3cccc5c6c(-c7ccc8ccccc8c7)cccc6n4c35)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
S1PR4 O95977 2/20 0.38
S1PR5 Q9H228 2/20 0.38
PRKDC P78527 1/20 0.38
CNR2 P34972 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
PIM1 P11309 2/20 0.36
MET P08581 1/20 0.36
ESR2 Q92731 2/20 0.36
ESR1 P03372 1/20 0.36
DHFR P00374 1/20 0.36
TUBB4A P04350 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
SCHEMBL21717624 0.94 ESR1 (0.41) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL21718333 0.91 HSD17B10 (0.40) GSTP1ALDH1A1HPGDTSHRMAPK1
SCHEMBL22708012 0.85 HDAC4 (0.35) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL21717625 0.84 HDAC8 (0.46) HDAC8
SCHEMBL22679628 0.83 NPY5R (0.33) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL21718018 0.83 HSD17B10 (0.45) HDAC8GPR84ALDH1A1TP53HPGD
SCHEMBL22707561 0.83 PIM1 (0.33) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL23814096 0.81 KDM4E (0.37) ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL23814088 0.81 KDM4E (0.37) ALDH1A1HPGD
SCHEMBL21718312 0.81 KDM4E (0.37) ALDH1A1HPGDMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200321536-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-10-08 US disclosed
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 (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-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 GSTP1 403/4885HDAC4 3346/4885HDAC2 1658/4885
US-20200321536-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, LEF1, RPS12 GSTP1 4155/4885HDAC4 3068/4885HDAC2 1700/4885

“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.