SCHEMBL25580262

SCHEMBL25580262

c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.42
HSD17B2 P37059 4/20 0.42
ESR1 P03372 5/20 0.37
ESR2 Q92731 5/20 0.37
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
GSTP1 P09211 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
ALOX5 P09917 3/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL25580269 1.00 HSD17B1 (0.42) HSD17B1HSD17B2ESR1ESR2HDAC4
SCHEMBL25580395 0.96 HSD17B1 (0.39) HSD17B1HSD17B2ESR1ESR2HDAC4
SCHEMBL25580384 0.96 HSD17B1 (0.39) HSD17B1HSD17B2ESR1ESR2HDAC4
SCHEMBL25580304 0.95 HSD17B1 (0.36) HSD17B1HSD17B2ESR1ESR2HDAC4
SCHEMBL25580307 0.95 HSD17B1 (0.36) HSD17B1HSD17B2ESR1ESR2HDAC4
SCHEMBL25580266 0.94 CA12 (0.41) HSD17B1HSD17B2ESR1ESR2CYP2C9
SCHEMBL25579948 0.92 HSD17B1 (0.41) HSD17B1HSD17B2ESR1ESR2HDAC4
SCHEMBL25579938 0.92 HSD17B1 (0.41) HSD17B1HSD17B2ESR1ESR2HDAC4
SCHEMBL25579955 0.92 HSD17B1 (0.41) HSD17B1HSD17B2ESR1ESR2HDAC4
SCHEMBL25579978 0.92 HSD17B1 (0.41) HSD17B1HSD17B2ESR1ESR2HDAC4

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-20230180597-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-08 US disclosed
US-20230180597-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-08 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-20230180597-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE ESR1, L1CAM, ESR2 HSD17B1 3017/4885HSD17B2 2771/4885ESR1 1/4885

“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.