SCHEMBL23776013

SCHEMBL23776013

c1cc(-c2ccc3cc(-c4ccc(-c5c6ccccc6c(-c6ccc7c8ccccc8n8c9ccccc9c6c78)c6ccccc56)cc4)ccc3c2)cc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)s2)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
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
SCHEMBL24211280 0.91
SCHEMBL24211415 0.89 HSD17B1 (0.32) HSD17B1HSD17B2
SCHEMBL19863142 0.89 ESR1 (0.36) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL19863136 0.86 GSTP1 (0.34) HSD17B1HSD17B2CYP1A2CYP2D6CYP2C9
SCHEMBL23775943 0.83 HSD17B1 (0.33) HSD17B1HSD17B2
SCHEMBL23775774 0.82 HSD17B1 (0.31) HSD17B1HSD17B2
SCHEMBL23775682 0.81 GSTP1 (0.32)
SCHEMBL23775773 0.81 HSD17B1 (0.31) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL22707556 0.80 PIM1 (0.33) HSD17B1HSD17B2CYP1A2CYP2D6CYP2C9
SCHEMBL23642959 0.79 HSD17B1 (0.42) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6

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-20220389027-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2022-12-08 US disclosed
US-20210257550-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-08-19 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 (2 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-20210257550-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CCNL2, CYBA, CYC1 HSD17B1 2377/4885HSD17B2 1824/4885CYP1A2 174/4885
US-20220389027-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CCNA1, CRY2 HSD17B1 987/4885HSD17B2 902/4885CYP1A2 28/4885

“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.