SCHEMBL20198907

SCHEMBL20198907

c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3c2-c2oc4ccccc4c2C32c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.32
NTRK1 P04629 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL20175006 0.91 KDM4E (0.32) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL18457470 0.90 AHR (0.34) AHRKDM4EMEN1ALDH1A1MAPT
SCHEMBL20198972 0.90 AHR (0.31) AHRNTRK1PLK3KDM4EMEN1
SCHEMBL18457973 0.89 AHR (0.35) AHRKDM4EMEN1ALDH1A1MAPT
SCHEMBL18457527 0.88 AHR (0.35) AHRKDM4EMEN1ALDH1A1MAPT
SCHEMBL20174973 0.88 NTRK1 (0.33) NTRK1PLK3
SCHEMBL20198904 0.88
SCHEMBL20174758 0.87 L3MBTL1 (0.30)
SCHEMBL20174977 0.87 L3MBTL1 (0.30)
SCHEMBL24088456 0.87 AHR (0.36) AHRNTRK1PLK3KDM4EMEN1

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-10781366-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-09-22 US disclosed
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 US disclosed
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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-10781366-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG AHR 745/4885NTRK1 4548/4885PLK3 1825/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG AHR 745/4885NTRK1 4548/4885PLK3 1825/4885

“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.