SCHEMBL22800187

SCHEMBL22800187

C=CCCCOCc1ccccc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HIF1A Q16665 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ CFTR P13569 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL22800173 0.88 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL22799631 0.88 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL22799659 0.85 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL22800185 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AHTTHPGD
SCHEMBL22799781 0.83 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL6669086 0.81 ALDH1A1 (0.62) ALDH1A1LMNAKDM4EKMT2AHTT
SCHEMBL10813247 0.80 ALDH1A1 (0.62) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL22800165 0.79 KDM4E (0.65) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL12291117 0.78 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL18095287 0.77 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2

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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 — — 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 ALDH1A1 3918/4885LMNA 1070/4885KDM4E 1957/4885

“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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