SCHEMBL20090249

SCHEMBL20090249

O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c4ccccc4c4nc5ccc(-c6ccc(P(=O)(c7ccccc7)c7ccccc7)c7ccccc67)cc5n4c3c2)nc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.33
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL20090253 0.96 TOP1 (0.31) TOP1
SCHEMBL20090252 0.94 TOP1 (0.30) TOP1
SCHEMBL20090186 0.91 TOP1 (0.31) TOP1
SCHEMBL19960011 0.91 ALDH1A1 (0.35) TOP1ALDH1A1HPGDKDM4EKMT2A
SCHEMBL20090198 0.89 CYP11B1 (0.30)
SCHEMBL20096540 0.89 ALDH1A1 (0.32) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090251 0.88 ALDH1A1 (0.31) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL19929010 0.88 ALDH1A1 (0.38) TOP1ALDH1A1HPGDKDM4EKMT2A
SCHEMBL19960510 0.87 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL19929009 0.87 HPGD (0.43) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2

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-20180114923-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-04-26 US disclosed
US-20180114923-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-04-26 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-20180114923-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 TOP1 2543/4885ALDH1A1 750/4885HPGD 2982/4885

“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.