SCHEMBL22199876

SCHEMBL22199876

c1ccc(-c2nc3cc4ccccc4cc3nc2-n2c3ccccc3c3c4ccccc4c4c5ccccc5sc4c32)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.30
RECQL P46063 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RPS6KB2 Q9UBS0 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30

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
SCHEMBL16582335 0.92 HSD17B10 (0.36) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL22199870 0.90 HSD17B10 (0.35) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL19546282 0.88 ESR1 (0.34) ESR1ESR2KDM4EALDH1A1GAA
SCHEMBL22199872 0.88 TUBB4A (0.32)
SCHEMBL19985985 0.87 HSD17B10 (0.36) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL22199905 0.87 MEN1 (0.30) LMNAMAPK1RECQLL3MBTL1
SCHEMBL22199906 0.87 MEN1 (0.30) LMNAMAPK1RECQLL3MBTL1
SCHEMBL19543915 0.87 ESR1 (0.33) ESR1ESR2KDM4ELMNAALDH1A1
SCHEMBL19985997 0.85 HSD17B10 (0.34) KDM4ELMNASMN1; SMN2ALDH1A1GAA
SCHEMBL22199904 0.85

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-20200216392-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2020-07-09 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-20200216392-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERF2, PIEZO1, TERT ESR1 1127/4885ESR2 1402/4885KDM4E 1076/4885

“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.