SCHEMBL25868678

SCHEMBL25868678

Cc1cccc(-n2cc(C(C)C)nn2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.50
GRIN1 Q05586 14/20 0.50
GRIN2B Q13224 14/20 0.50
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
ESRRA P11474 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 1/20 0.44
KDM6B O15054 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL25820296 0.84 RXRA (0.58) RXRAGRIN1GRIN2BESRRA
SCHEMBL10257033 0.83 NOTUM (0.56) RXRAGRIN1GRIN2BKEAP1NFE2L2
SCHEMBL13183608 0.81 CYP2A6 (0.42) RXRAGRIN1GRIN2B
SCHEMBL24908474 0.81 BCHE (0.52) RXRAGRIN1GRIN2BKEAP1NFE2L2
SCHEMBL13119830 0.81 P2RX7 (0.50) ESRRAALDH1A1L3MBTL1
SCHEMBL24010670 0.80 RXRA (0.55) RXRAGRIN1GRIN2BKEAP1NFE2L2
SCHEMBL13183607 0.80 NOTUM (0.53) RXRAGRIN1GRIN2BESRRACA12
SCHEMBL23603985 0.79 NOTUM (0.59) RXRAGRIN1GRIN2BCA12CA1
SCHEMBL23008630 0.79 CYP1B1 (0.37) RXRAGRIN1GRIN2B
SCHEMBL25163608 0.76 RXRA (0.43) RXRAGRIN1GRIN2B

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-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins UNIV YALE (US) 2023-07-27 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-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins ASGR1, LDLR, FCGR2A RXRA 510/4885GRIN1 2085/4885GRIN2B 1726/4885

“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.