SCHEMBL22945333

SCHEMBL22945333

c1ccc2cc3c(cc2c1)-c1cccc2cccc(c12)N3c1nc(-c2cccc3cccnc23)c2sc3ccccc3c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
AGTR1 P30556 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
KRAS P01116 1/20 0.31
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL22945755 0.93 KDM4E (0.32) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL22944962 0.92 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL22945764 0.89 ALDH1A1 (0.34) ALDH1A1HPGDTP53TSHRMAPK1
SCHEMBL22945331 0.89 KRAS (0.39) ALDH1A1KDM4EKRASHPGDTP53
SCHEMBL22945534 0.89 ALOX5 (0.34) ALDH1A1HPGDTP53TSHRMAPK1
SCHEMBL22945509 0.88 ALDH1A1 (0.33) ALDH1A1HPGDTP53TSHRMAPK1
SCHEMBL22944880 0.87 MAPK1 (0.34) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL22945998 0.86 ALDH1A1 (0.33) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL22945332 0.86 ALDH1A1 (0.32) ALDH1A1KDM4EHPGDTP53TSHR
SCHEMBL22945768 0.86 PDE6D (0.33) ALDH1A1HPGDTP53TSHRMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-04 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-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME DRD1, DRD3, DRD2 ALDH1A1 271/4885KDM4E 1857/4885MAPT 2771/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 ALDH1A1 271/4885KDM4E 1857/4885MAPT 2771/4885

“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.