SCHEMBL20174544

SCHEMBL20174544

c1ccc2c(c1)-c1ccccc1C21c2cccc(-c3nc(-c4cccc5ccccc45)c4ccccc4n3)c2-c2sc3ccccc3c21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL20174447 0.82 MEN1 (0.33) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18456028 0.79 PARP14 (0.34)
SCHEMBL20174471 0.78 ALOX5 (0.33) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18455538 0.78 ADORA2A (0.35) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20174557 0.78 AR (0.40) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20371095 0.78
SCHEMBL20174546 0.78 KDM4E (0.45) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20174514 0.77 ADORA2A (0.30)
SCHEMBL20174489 0.77 S1PR5 (0.37) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20174510 0.77 KDM4E (0.41) ALDH1A1KDM4E

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 ALDH1A1 33/4885KDM4E 3633/4885MEN1 611/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ALDH1A1 33/4885KDM4E 3633/4885MEN1 611/4885

“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.