SCHEMBL31428489

SCHEMBL31428489

CCOC(=O)c1ccc2c(ccc(C)[n+]2[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
HSD17B2 P37059 1/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PABPC1 P11940 1/20 0.43
PTPN11 Q06124 1/20 0.42
HCRTR1 O43613 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL16621281 1.00 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL4532076 0.85 LCK (0.47) CA12CA1CA2CA7CA9
SCHEMBL707407 0.79 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL1285549 0.79 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL1960994 0.78 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL9979785 0.76 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL17186112 0.76 GAA (0.50) LMNACYP1A2CYP3A4SMN1; SMN2KMT2A
SCHEMBL16259100 0.73 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL571295 0.73 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL7642823 0.73 HRH3 (0.61) CA12CA1CA2CA7CA9

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS CA12 4520/4885CA1 4569/4885CA2 3529/4885

“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.