SCHEMBL22639334

SCHEMBL22639334

O=P(c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2)cc1)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
ACP3 P15309 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL22639332 1.00 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL22639333 1.00 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL22639311 1.00 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL22639204 0.94 ALDH1A1 (0.38) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL20967340 0.90 TOP1 (0.45) ALDH1A1HPGDKDM4ELMNAPOLB
SCHEMBL14339264 0.89 KDM4E (0.45) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL17451881 0.87 TOP1 (0.42) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL18780702 0.86 KDM4E (0.41) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL5760742 0.85 TOP1 (0.43) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL14339281 0.85 LMNA (0.45) ALDH1A1HPGDKDM4ELMNAPOLB

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-10833277-B2 Heterocyclic compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2020-11-10 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-10833277-B2 Heterocyclic compound and organic light emitting diode comprising same CRY1, CRY2, DDT ALDH1A1 67/4885HPGD 1825/4885SMN1; SMN2 3301/4885

“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.