SCHEMBL23769839

SCHEMBL23769839

c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)cccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HCRTR1 O43613 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
SCHEMBL23224756 0.98 CHRNA1 (0.31) CA12CA1CA2CA9HCRTR1
SCHEMBL23237276 0.97 CHRNA1 (0.31)
SCHEMBL23770006 0.96 CA12 (0.32) CA12CA1CA2CA9HCRTR1
SCHEMBL23769945 0.95 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL23769845 0.95 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL23237148 0.95 CHRNA1 (0.32) CA12CA1CA2CA9
SCHEMBL23769809 0.95 MMP12 (0.32) HCRTR1
SCHEMBL23769864 0.95 MMP12 (0.32) HCRTR1
SCHEMBL23233136 0.94 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL23238617 0.94 CHRNA1 (0.32) CA12CA1CA2CA9

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-20210253546-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 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 (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-20210253546-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE RER1, ESR1, RFT1 CA12 3946/4885CA1 3195/4885CA2 3654/4885

“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.