SCHEMBL21168883

SCHEMBL21168883

c1ccc(-c2nc3ccccc3nc2-n2c3cc4ccccc4cc3c3cc4c5ccccc5n(-c5ccc6ccccc6c5)c4cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
DHODH Q02127 1/20 0.33
MAPT P10636 1/20 0.32
MAPK9 P45984 3/20 0.32
MAPK10 P53779 3/20 0.32

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
SCHEMBL21168868 1.00 HPGD (0.37) HPGDESR1ESR2HSD17B10CASP1
SCHEMBL19655303 0.94 HPGD (0.39) HPGDESR1ESR2HSD17B10CASP1
SCHEMBL19655305 0.92 HPGD (0.38) HPGDESR1ESR2HSD17B10CASP1
SCHEMBL22425456 0.92 ESR1 (0.39) HPGDESR1ESR2HSD17B10CASP1
SCHEMBL20031130 0.92 KDM4E (0.43) HPGDESR1ESR2HSD17B10CASP1
SCHEMBL21168715 0.92 KDM4E (0.43) HPGDESR1ESR2HSD17B10CASP1
SCHEMBL21716924 0.92 ESR1 (0.39) HPGDESR1ESR2HSD17B10CASP1
SCHEMBL21716780 0.92 ESR1 (0.39) HPGDESR1ESR2HSD17B10CASP1
SCHEMBL22425646 0.92 NPY5R (0.36) HPGDESR1ESR2HSD17B10CASP1
SCHEMBL21168854 0.91 L3MBTL1 (0.39) HPGDESR1ESR2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210328152-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2021-10-21 US disclosed
US-20200058882-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2020-02-20 US disclosed
US-20190355912-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-11-21 US disclosed
US-20190221752-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2019-07-18 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-20190221752-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME EPCAM, OR10J3, L1CAM HPGD 4308/4885ESR1 216/4885ESR2 756/4885

“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.