SCHEMBL26338249

SCHEMBL26338249

c1ccc(-c2cccc(N(c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)c3ccccc3-c3ccccc3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ HSD17B1 P14061 2/20 0.31
▸ HSD17B2 P37059 2/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2B6 P20813 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ THRB P10828 2/20 0.30
▸ THRA P10827 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
SCHEMBL26338279 0.97 IMPDH2 (0.32) IMPDH2ENPP1CA12CA1CA2
SCHEMBL26340674 0.97 IMPDH2 (0.32) IMPDH2ENPP1CA12CA1CA2
SCHEMBL26338309 0.97 IMPDH2 (0.32) IMPDH2ENPP1CA12CA1CA2
SCHEMBL26339137 0.97 ESR1 (0.31) IMPDH2ENPP1HSD17B1HSD17B2ESR1
SCHEMBL26338366 0.96 IMPDH2 (0.31) IMPDH2ENPP1CA12CA1CA2
SCHEMBL26339124 0.96 IMPDH2 (0.32) IMPDH2ENPP1CA12CA1CA2
SCHEMBL26339133 0.96 ESR1 (0.31) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL26338377 0.96 ENPP1 (0.33) IMPDH2ENPP1CA12CA1CA2
SCHEMBL26339193 0.95 ESR1 (0.30) ESR1ESR2
SCHEMBL26336549 0.95 ENPP1 (0.33) IMPDH2ENPP1THRBTHRA

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 546/4885CA12 2091/4885

“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.

Send feedback