SCHEMBL26338279

SCHEMBL26338279

c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc6c(c5)c(-c5ccccc5)c(-c5ccccc5)c5ccccc56)c4)c4ccccc4-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ CRHR1 P34998 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL26338309 1.00 IMPDH2 (0.32) IMPDH2ENPP1CRHR1CA12CA1
SCHEMBL26340674 1.00 IMPDH2 (0.32) IMPDH2ENPP1CRHR1CA12CA1
SCHEMBL26339193 0.97 ESR1 (0.30) ESR1ESR2
SCHEMBL26339127 0.97 ESR1 (0.30) ESR1ESR2
SCHEMBL26338249 0.97 IMPDH2 (0.33) IMPDH2ENPP1CA12CA1CA2
SCHEMBL26339138 0.96 — —
SCHEMBL26338381 0.96 ENPP1 (0.31) ENPP1CRHR1
SCHEMBL26339133 0.96 ESR1 (0.31) HSD17B1HSD17B2ESR1ESR2
SCHEMBL22671671 0.96 ENPP1 (0.33) IMPDH2ENPP1CRHR1CA12CA1
SCHEMBL26340761 0.96 ESR1 (0.32) IMPDH2ENPP1CRHR1CA12CA1

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-20230301176-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENTS, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-09-21 — — 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-20230301176-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENTS, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE LEF1, ELAVL1, PIEZO1 IMPDH2 2678/4885ENPP1 546/4885CRHR1 4232/4885

“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.

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