SCHEMBL22456958

SCHEMBL22456958

CP(=O)(c1ccccc1)c1ccc2ccc(-c3ccc4c5c6ccccc6ccc5c5nc6ccccc6n5c4c3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
CAMKK1 Q8N5S9 2/20 0.40
CAMKK2 Q96RR4 2/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
PIM3 Q86V86 1/20 0.40
DYRK2 Q92630 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL22456900 0.92 BCL2 (0.39) HPGDALDH1A1KDM4ECAMKK1CAMKK2
SCHEMBL22457014 0.89 HPGD (0.41) HPGDALDH1A1KDM4ECAMKK1CAMKK2
SCHEMBL20090077 0.88 HPGD (0.41) HPGDALDH1A1KDM4ECAMKK1CAMKK2
SCHEMBL20090087 0.88 BCL2 (0.40) HPGDALDH1A1KDM4ECAMKK1CAMKK2
SCHEMBL20090130 0.88 HPGD (0.44) HPGDALDH1A1KDM4ECAMKK1CAMKK2
SCHEMBL14643513 0.88 HPGD (0.44) HPGDALDH1A1KDM4ECAMKK1CAMKK2
SCHEMBL18118578 0.86 HPGD (0.51) HPGDALDH1A1KDM4ECAMKK1CAMKK2
SCHEMBL20090099 0.85 HPGD (0.44) HPGDALDH1A1KDM4ECAMKK1CAMKK2
SCHEMBL20090080 0.85 HPGD (0.42) HPGDALDH1A1KDM4ECAMKK1CAMKK2
SCHEMBL22456899 0.84 ALDH1A1 (0.36) HPGDALDH1A1KDM4ECAMKK1CAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200303661-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2020-09-24 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 (1 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-20200303661-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME NR2E3, NR2E1, NOX1 HPGD 4184/4885ALDH1A1 2038/4885KDM4E 2372/4885

“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.