SCHEMBL20174385

SCHEMBL20174385

c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5c4oc4ccccc54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
PGR P06401 1/20 0.30
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 1/20 0.30
MAPK1 P28482 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
SCHEMBL20174375 0.91 ALDH1A1 (0.34) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL20174365 0.89 ALDH1A1 (0.35) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL20174402 0.89 CYP1A2 (0.32) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL20174369 0.88 CYP1A1 (0.39) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL20174378 0.88 KMT2A (0.33) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL20174380 0.88 CYP1A1 (0.39) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL20174354 0.87 PDK2 (0.37) KMT2AALDH1A1MEN1CYP1A2MAPT
SCHEMBL20174329 0.87 PDK2 (0.35) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL20174404 0.87 PDK2 (0.35) KMT2AALDH1A1KDM4EMEN1TP53
SCHEMBL20174364 0.87 KMT2A (0.39) KMT2AALDH1A1KDM4EMEN1ADORA2A

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 KMT2A 1480/4885ALDH1A1 33/4885KDM4E 3633/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG KMT2A 1480/4885ALDH1A1 33/4885KDM4E 3633/4885

“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.