SCHEMBL23225035

SCHEMBL23225035

c1ccc(-c2ccccc2N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
PIM1 P11309 2/20 0.36
ACMSD Q8TDX5 2/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
GSTP1 P09211 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CDK4 P11802 3/20 0.34

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
SCHEMBL24919381 0.99 CA12 (0.39) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL24918541 0.95 HSD17B1 (0.38) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL24918537 0.95 HSD17B1 (0.38) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL26045637 0.94 HSD17B1 (0.37) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL24747806 0.93 HSD17B1 (0.39) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL23225033 0.93 HSD17B1 (0.45) HSD17B1HSD17B2CA1CA2CA9
SCHEMBL23225062 0.92 HSD17B1 (0.40) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL24919729 0.92 HSD17B1 (0.46) HSD17B1HSD17B2CA1CA2CA9
SCHEMBL24747805 0.91 MCL1 (0.40) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL24747596 0.91 MCL1 (0.40) HSD17B1HSD17B2CA12CA1CA2

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-20230024273-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-01-26 US disclosed
WO-2021070965-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-04-15 WO 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-20230024273-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, L1CAM, PIEZO1 HSD17B1 2196/4885HSD17B2 2389/4885CA12 2001/4885

“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.