SCHEMBL22799631

SCHEMBL22799631

C=CCOCCCOCc1ccccc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSP90AA1 P07900 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CFTR P13569 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPK8 P45983 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
SCHEMBL22800173 0.97 ALDH1A1 (0.46) ALDH1A1LMNACYP3A4KDM4EL3MBTL1
SCHEMBL22799659 0.95 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4KDM4EKMT2A
SCHEMBL22799781 0.90 ALDH1A1 (0.51) ALDH1A1LMNACYP3A4KDM4EKMT2A
SCHEMBL22800187 0.88 ALDH1A1 (0.47) ALDH1A1LMNACYP3A4KDM4EKMT2A
SCHEMBL22799629 0.85 L3MBTL1 (0.46) ALDH1A1CYP3A4L3MBTL1KMT2ATSHR
SCHEMBL22800168 0.83 L3MBTL1 (0.47) ALDH1A1CYP3A4L3MBTL1KMT2ATSHR
SCHEMBL22800222 0.80 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EKMT2ACYP1A2
SCHEMBL12291117 0.80 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EKMT2ACYP1A2
SCHEMBL6669086 0.80 ALDH1A1 (0.62) ALDH1A1LMNAKDM4EKMT2ATSHR
SCHEMBL22799660 0.79 CYP3A4 (0.46) ALDH1A1CYP3A4L3MBTL1KMT2ATSHR

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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