SCHEMBL20174252

SCHEMBL20174252

c1ccc(-c2cc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3c-4oc4ccccc34)nc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KMT2A Q03164 7/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 7/20 0.33
MAPT P10636 7/20 0.33
MEN1 O00255 6/20 0.33
HPGD P15428 5/20 0.33
KDM4E B2RXH2 4/20 0.33
LMNA P02545 2/20 0.33
PIM1 P11309 1/20 0.33
CYP1A2 P05177 3/20 0.32
HSD17B10 Q99714 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
NTSR1 P30989 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GLA P06280 1/20 0.32
ANO1 Q5XXA6 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
SCHEMBL22326569 0.94 CYP1A1 (0.34) CYP1A1CYP1B1KMT2AMAPK1ALDH1A1
SCHEMBL20174257 0.93 CYP1A1 (0.37) CYP1A1CYP1B1KMT2AMAPK1ALDH1A1
SCHEMBL20174207 0.92 MAPT (0.36) KMT2AMAPK1ALDH1A1MAPTMEN1
SCHEMBL20174269 0.90 CYP1A1 (0.40) CYP1A1CYP1B1KMT2AMAPK1ALDH1A1
SCHEMBL20174292 0.89 MAPT (0.35) KMT2AMAPK1ALDH1A1MAPTMEN1
SCHEMBL20174233 0.88 ALDH1A1 (0.36) KMT2AMAPK1ALDH1A1MAPTMEN1
SCHEMBL22326528 0.88 ALDH1A1 (0.39) KMT2AMAPK1ALDH1A1MAPTMEN1
SCHEMBL20174255 0.87 CYP1A1 (0.38) CYP1A1CYP1B1KMT2AMAPK1ALDH1A1
SCHEMBL20174277 0.87 PIM1 (0.36) CYP1A1CYP1B1KMT2AALDH1A1MAPT
SCHEMBL22326526 0.87 CYP1A1 (0.35) CYP1A1CYP1B1KMT2AMAPK1ALDH1A1

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 725/4885KMT2A 1480/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG CYP1A1 726/4885CYP1B1 725/4885KMT2A 1480/4885

“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.