SCHEMBL26035581

SCHEMBL26035581

CC(C)(C)CN(CCO)CC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR1D1 P20393 4/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
SCN1A P35498 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
NR1H3 Q13133 1/20 0.32
CA14 Q9ULX7 2/20 0.30
CA12 O43570 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
SCHEMBL3031948 0.90 ALOX15 (0.41) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL1758843 0.90 ALOX15 (0.41) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL8412132 0.87 ALOX15 (0.42) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL4335588 0.85 HIF1A (0.35) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL26035583 0.85 CA12 (0.40) NR1D1NR1H3CA14CA12CA1
SCHEMBL19952793 0.84 TDP1 (0.45) ALOX15KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL21566414 0.83 NR1D1 (0.33) NR1D1TSHRNR1H3CA14CA12
SCHEMBL30678011 0.82 CA14 (0.31) NR1D1CA14
SCHEMBL16087987 0.81 NR1D1 (0.32) NR1D1NR1H3
SCHEMBL15548847 0.80 NR1D1 (0.36) TDP1NR1D1CYP2D6NR1H3CA14

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-11731960-B2 Biheterocyclic compound Sumitomo Pharma Co., Ltd. (JP) 2023-08-22 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-11731960-B2 Biheterocyclic compound NR4A3, NGF, OGFR ALOX15 924/4885KDM4E 1008/4885MAPT 4598/4885

“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.