SCHEMBL20174545

SCHEMBL20174545

c1ccc(-c2ccc(-n3c(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5sc6ccccc6c54)nc4ccccc43)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.41
ESR1 P03372 2/20 0.41
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36
CACNG2 Q9Y698 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
HSP90AA1 P07900 1/20 0.35
RECQL P46063 1/20 0.35
PTGS2 P35354 1/20 0.34
PTGER4 P35408 1/20 0.33
GAA P10253 1/20 0.32
VCP P55072 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 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
SCHEMBL20174548 0.91 RECQL (0.38) ESR2ESR1HDAC1HDAC8HDAC6
SCHEMBL20174670 0.85 ESR2 (0.41) ESR2ESR1HDAC1HDAC8HDAC6
SCHEMBL24905287 0.80 ESR1 (0.48) ESR2ESR1HDAC1HDAC8HDAC6
SCHEMBL20174304 0.80 ESR1 (0.41) ESR2ESR1HDAC1HDAC8HDAC6
SCHEMBL24648266 0.80 RECQL (0.49) ESR2ESR1HDAC1HDAC8HDAC6
SCHEMBL20174480 0.79 MEN1 (0.33) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL20174561 0.79 HPGD (0.48) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL19164385 0.79 RECQL (0.48) ESR2ESR1HDAC1HDAC8HDAC6
SCHEMBL12349724 0.79 ESR2 (0.47) ESR2ESR1HDAC1HDAC8HDAC6
SCHEMBL20371297 0.79 RECQL (0.36) ESR2ESR1HDAC1HDAC8HDAC6

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-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG ESR2 34/4885ESR1 8/4885HDAC1 1371/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ESR2 34/4885ESR1 8/4885HDAC1 1371/4885

“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.