SCHEMBL25836730

SCHEMBL25836730

CC(=O)Cn1cc(CCO)nn1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
ALOX5 P09917 1/20 0.42
NEU4 Q8WWR8 1/20 0.39
NEU3 Q9UQ49 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP19A1 P11511 1/20 0.37
HDAC1 Q13547 4/20 0.36
DDX3X O00571 1/20 0.36
GGPS1 O95749 1/20 0.36

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
SCHEMBL13878324 0.86 CYP19A1 (0.51) POLBKMT2AALDH1A1CYP19A1GGPS1
SCHEMBL23038420 0.84 POLB (0.57) POLBKMT2ANEU4NEU3ALDH1A1
SCHEMBL21626004 0.83 POLB (0.47) POLBKMT2AALOX5NEU4NEU3
SCHEMBL18235987 0.82 POLB (0.38) POLBKMT2AALDH1A1CYP19A1GGPS1
SCHEMBL13437076 0.82 FOLH1 (0.46) POLBKMT2AALDH1A1HDAC1GGPS1
SCHEMBL24276636 0.82 HDAC1 (0.48) ALDH1A1HDAC1
SCHEMBL24276661 0.81 EPHX2 (0.47) ALDH1A1HDAC1
SCHEMBL15257805 0.81 MAOA (0.43) POLBKMT2AALDH1A1GGPS1
SCHEMBL16891850 0.81 POLB (0.38) POLBKMT2AALDH1A1HDAC1
SCHEMBL25836729 0.79 SRC (0.38) POLBKMT2AALDH1A1CYP19A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-09-14 US disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 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 (2 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-11702431-B2 Oxo-substituted compound CYP51A1, OXA1L, O60361 POLB 870/4885KMT2A 2610/4885ALOX5 615/4885
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND CYP51A1, OXA1L, O60361 POLB 870/4885KMT2A 2610/4885ALOX5 615/4885

“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.