SCHEMBL22799781

SCHEMBL22799781

C=CCOCc1ccccc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ KMT2A Q03164 1/20 0.46
▸ TSHR P16473 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ HTT P42858 3/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ CFTR P13569 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ LIG1 P18858 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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 0.93 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4KMT2ATSHR
SCHEMBL22800173 0.90 ALDH1A1 (0.46) ALDH1A1LMNACYP3A4KMT2ATSHR
SCHEMBL22799631 0.90 ALDH1A1 (0.46) ALDH1A1LMNACYP3A4KMT2ATSHR
SCHEMBL6669086 0.85 ALDH1A1 (0.62) ALDH1A1LMNAKMT2ATSHRHSD17B10
SCHEMBL22800187 0.83 ALDH1A1 (0.47) ALDH1A1LMNACYP3A4KMT2ATSHR
SCHEMBL22799778 0.83 CYP3A4 (0.50) ALDH1A1CYP3A4KMT2ATSHRHSD17B10
SCHEMBL668686 0.82 ALDH1A1 (0.49) ALDH1A1LMNAKMT2ATSHRHSD17B10
SCHEMBL24074659 0.81 ALDH1A1 (0.57) ALDH1A1LMNACYP3A4KMT2ATSHR
SCHEMBL24834273 0.79 CYP3A4 (0.46) ALDH1A1LMNACYP3A4KMT2ATSHR
SCHEMBL3150175 0.79 ALDH1A1 (0.62) ALDH1A1LMNAKMT2ATSHRHSD17B10

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 1070/4885CYP3A4 4538/4885

“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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