SCHEMBL20090098

SCHEMBL20090098

S=P(c1ccccc1)(c1ccc(-c2c[siH]c3c(ccc4c5ccccc5c5nc6ccccc6n5c43)c2)nc1)c1cc2ccccc2c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL20090089 0.88 HPGD (0.35) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL20090112 0.85 HPGD (0.34) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL20096624 0.84 TUBB4A (0.32) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL20090133 0.83 ALDH1A1 (0.32) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL20090222 0.81 HPGD (0.39) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL20090084 0.81 HPGD (0.34) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL20090106 0.80 HPGD (0.34) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL20090120 0.77 ALDH1A1 (0.32) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL20090076 0.77 HPGD (0.38) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL19960322 0.75 CYP11B1 (0.32) KDM4EALDH1A1HPGDLMNATP53

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 KDM4E 1997/4885ALDH1A1 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.