SCHEMBL20174389

SCHEMBL20174389

c1ccc(-c2cc(-c3ccccc3-c3ccc4c(c3)-c3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)nc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KMT2A Q03164 4/20 0.32
MAPK1 P28482 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
MEN1 O00255 3/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
NTSR1 P30989 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
DHFR P00374 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
SCHEMBL20174387 0.96 CYP1A1 (0.36) CYP1A1CYP1B1ADORA2AADORA1KMT2A
SCHEMBL20174370 0.91 CYP1A1 (0.36) CYP1A1CYP1B1ADORA2AADORA1KMT2A
SCHEMBL20174384 0.89 CYP1A1 (0.40) CYP1A1CYP1B1KMT2AMAPK1GPR84
SCHEMBL20174352 0.89 ALDH1A1 (0.34) KMT2AMAPK1MEN1ALDH1A1CYP1A2
SCHEMBL20174347 0.88 MAPK1 (0.33) KMT2AMAPK1MEN1ALDH1A1KDM4E
SCHEMBL20174343 0.87 KMT2A (0.36) ADORA2AADORA1KMT2AMAPK1MEN1
SCHEMBL20174359 0.87 KMT2A (0.34) KMT2AMAPK1MEN1ALDH1A1KDM4E
SCHEMBL20174368 0.87 CYP1A1 (0.38) CYP1A1CYP1B1KMT2AMAPK1MEN1
SCHEMBL20174362 0.87 CYP1A1 (0.38) CYP1A1CYP1B1KMT2AMAPK1MEN1
SCHEMBL20174382 0.87 CYP1A1 (0.38) CYP1A1CYP1B1ADORA2AADORA1KMT2A

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 CYP1A1 726/4885CYP1B1 725/4885ADORA2A 3056/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG CYP1A1 726/4885CYP1B1 725/4885ADORA2A 3056/4885

“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.