SCHEMBL23307461

SCHEMBL23307461

c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c6c(ccc5c4)Sc4ccccc4C64c5ccccc5-c5ccccc54)cc3)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
PDK2 Q15119 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 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
SCHEMBL23307719 0.99
SCHEMBL23307460 0.99 HSD17B1 (0.32) HSD17B1HSD17B2PDK2ESR1ESR2
SCHEMBL23307706 0.96
SCHEMBL23307505 0.94
SCHEMBL23307307 0.91 CA12 (0.30)
SCHEMBL23307077 0.91 PDK2 (0.34) PDK2
SCHEMBL23307458 0.90 PDK2 (0.31) PDK2
SCHEMBL23307068 0.89 PDK2 (0.32) PDK2
SCHEMBL23307306 0.89
SCHEMBL23307426 0.89 CA12 (0.31) PDK2

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-20210126200-A1 ORGANIC COMPOUNDS AND ORGANIC LIGHT EMITTING DISPLAY DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2021-04-29 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-20210126200-A1 ORGANIC COMPOUNDS AND ORGANIC LIGHT EMITTING DISPLAY DEVICE USING THE SAME AOX1, OCIAD1, SLCO2A1 HSD17B1 310/4885HSD17B2 620/4885PDK2 2383/4885

“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.