SCHEMBL20096540

SCHEMBL20096540

S=P(c1ccccc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc3c4ccccc4c4nc5ccc(-c6ccc(P(=S)(c7ccccc7)c7ccccc7)c7ccccc67)cc5n4c3c2)nc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
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
SCHEMBL20090251 0.98 ALDH1A1 (0.31) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090252 0.95 TOP1 (0.30)
SCHEMBL20090256 0.94
SCHEMBL20096519 0.94
SCHEMBL20096451 0.92 KDM4E (0.30) ALDH1A1HPGDKDM4E
SCHEMBL20090188 0.90
SCHEMBL19960509 0.89 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090249 0.89 TOP1 (0.33) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL19960023 0.87 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090194 0.87

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-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 ALDH1A1 750/4885HPGD 2982/4885KDM4E 1997/4885

“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.