SCHEMBL20174391

SCHEMBL20174391

c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)-c4c(oc6ccccc46)C54c5ccccc5-c5ccccc54)cc3)cc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
CTRC Q99895 1/20 0.33
PDK2 Q15119 1/20 0.33
PIM1 P11309 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA2B P29275 1/20 0.32
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
AKT3 Q9Y243 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
PGR P06401 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
SCHEMBL22326560 0.94 CYP1A1 (0.37) CYP1A1CYP1B1KMT2AMAPK1CTRC
SCHEMBL20174363 0.93 PDK2 (0.34) KMT2AMAPK1PDK2AKT1AKT2
SCHEMBL20174373 0.91 CYP1A1 (0.36) CYP1A1CYP1B1KMT2AMAPK1CTRC
SCHEMBL20174355 0.88 KMT2A (0.33) KMT2AMAPK1PDK2CYP1A2ALDH1A1
SCHEMBL20174312 0.88 MAPK1 (0.32) KMT2AMAPK1PDK2ALDH1A1MAPT
SCHEMBL20174398 0.88 PDK2 (0.39) KMT2AMAPK1PDK2AKT1AKT2
SCHEMBL20174361 0.88 PDK2 (0.39) KMT2AMAPK1PDK2AKT1AKT2
SCHEMBL20174322 0.88 PDK2 (0.39) KMT2AMAPK1PDK2AKT1AKT2
SCHEMBL20174380 0.87 CYP1A1 (0.39) CYP1A1CYP1B1KMT2AMAPK1CTRC
SCHEMBL20174369 0.87 CYP1A1 (0.39) CYP1A1CYP1B1KMT2AMAPK1CTRC

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.