SCHEMBL19977781

SCHEMBL19977781

c1ccc(N2c3ccccc3C3(c4ccccc4Sc4cc5c(cc43)oc3ccccc35)c3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.37
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGER4 P35408 1/20 0.31

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
SCHEMBL19977779 0.95 AHR (0.37) AHRKDM4EMEN1ALDH1A1MAPT
SCHEMBL19977913 0.85 KDM4E (0.30) KDM4E
SCHEMBL19977883 0.83 KDM4E (0.30) KDM4E
SCHEMBL23184304 0.82 AHR (0.43) AHRKDM4EMEN1ALDH1A1MAPT
SCHEMBL19977933 0.81 AHR (0.34) AHR
SCHEMBL30972504 0.80 HDAC6 (0.40) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL15030784 0.80 HDAC6 (0.40) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL19977780 0.80
SCHEMBL17752249 0.80 MAOA (0.42) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL19977797 0.79 GPR3 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11081650-B2 Spiro compound and organic light-emitting element comprising same LG CHEM, LTD. 2021-08-03 US disclosed
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 US disclosed
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 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-11081650-B2 Spiro compound and organic light-emitting element comprising same RER1, NR2E3, RIF1 AHR 1991/4885KDM4E 2668/4885MEN1 1489/4885
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG AHR 771/4885KDM4E 2931/4885MEN1 839/4885

“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.