SCHEMBL26017383

SCHEMBL26017383

COC(=O)CCC1(CCC(=O)O)c2ccccc2-c2nc3ccccc3nc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MAPK8 P45983 2/20 0.36
▸ MAPK9 P45984 2/20 0.36
▸ MAPK10 P53779 2/20 0.36
▸ RPS6KB2 Q9UBS0 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CASP3 P42574 1/20 0.35

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
SCHEMBL24349310 0.95 KDM4E (0.43) APEX1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL26017482 0.91 APEX1 (0.49) APEX1KDM4EALDH1A1RPS6KB2MAPT
SCHEMBL26016604 0.91 KDM4E (0.40) APEX1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24349531 0.91 KDM4E (0.41) APEX1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24349307 0.91 APEX1 (0.60) APEX1KDM4EHDAC6L3MBTL1ALDH1A1
SCHEMBL26017384 0.89 APEX1 (0.48) APEX1KDM4EALDH1A1HSD17B10MAPK8
SCHEMBL26017481 0.86 APEX1 (0.41) APEX1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL26016607 0.86 KDM4E (0.37) APEX1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24349537 0.86 APEX1 (0.57) APEX1KDM4EHDAC6L3MBTL1ALDH1A1
SCHEMBL26016602 0.85 APEX1 (0.46) APEX1KDM4EHDAC6L3MBTL1ALDH1A1

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-20230265058-A1 CARBOXYLIC ACID OR CARBOXYLIC ACID ESTER COMPOUND HAVING FUSED-RING STRUCTURE, METHOD FOR PRODUCING THE SAME, AND USE OF COMPOUND FUJIFILM CORPORATION (JP) 2023-08-24 — — 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-20230265058-A1 CARBOXYLIC ACID OR CARBOXYLIC ACID ESTER COMPOUND HAVING FUSED-RING STRUCTURE, METHOD FOR PRODUCING THE SAME, AND USE OF COMPOUND SPG11, HAT1, ASS1 APEX1 2815/4885KDM4E 4186/4885HDAC6 1329/4885

“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.

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