SCHEMBL22800222

SCHEMBL22800222

COC/C=C/COCCOCc1ccccc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ TSHR P16473 2/20 0.41
▸ HTT P42858 3/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CFTR P13569 1/20 0.40
▸ AKT1 P31749 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HPGD P15428 1/20 0.38

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
SCHEMBL22799659 0.85 ALDH1A1 (0.48) ALDH1A1LMNAKMT2ATSHRHTT
SCHEMBL6669086 0.81 ALDH1A1 (0.62) ALDH1A1LMNAKMT2ATSHRHTT
SCHEMBL668686 0.81 ALDH1A1 (0.49) ALDH1A1LMNAKMT2ATSHRHTT
SCHEMBL18095287 0.80 ALDH1A1 (0.51) ALDH1A1LMNAKMT2ATSHRHTT
SCHEMBL18105887 0.80 ALDH1A1 (0.51) ALDH1A1LMNAKMT2ATSHRHTT
SCHEMBL22799631 0.80 ALDH1A1 (0.46) ALDH1A1LMNAKMT2ATSHRHTT
SCHEMBL22800173 0.80 ALDH1A1 (0.46) ALDH1A1LMNAKMT2ATSHRHTT
SCHEMBL3150175 0.77 ALDH1A1 (0.62) ALDH1A1LMNAKMT2ATSHRHTT
SCHEMBL22799781 0.77 ALDH1A1 (0.51) ALDH1A1LMNAKMT2ATSHRHTT
SCHEMBL19889486 0.76 ALDH1A1 (0.47) ALDH1A1LMNAKMT2ATSHRHTT

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 1070/4885KMT2A 3635/4885

“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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