SCHEMBL22799629

SCHEMBL22799629

C=CCOCCCOCc1ccccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ FOLH1 Q04609 3/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PTK2B Q14289 1/20 0.39
▸ LIG1 P18858 1/20 0.38
▸ TEAD3 Q99594 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL22800168 0.99 L3MBTL1 (0.47) L3MBTL1CYP3A4TP53HTTFOLH1
SCHEMBL22799660 0.94 CYP3A4 (0.46) L3MBTL1CYP3A4TP53HTTFOLH1
SCHEMBL22799778 0.90 CYP3A4 (0.50) L3MBTL1CYP3A4TP53HTTFOLH1
SCHEMBL22800185 0.87 ALDH1A1 (0.47) L3MBTL1CYP3A4TP53HTTFOLH1
SCHEMBL22799631 0.85 ALDH1A1 (0.46) L3MBTL1CYP3A4HTTALDH1A1TSHR
SCHEMBL22800173 0.85 ALDH1A1 (0.46) L3MBTL1CYP3A4HTTALDH1A1TSHR
SCHEMBL10448129 0.80 ALDH1A1 (0.60) L3MBTL1CYP3A4HTTALDH1A1TSHR
SCHEMBL27398691 0.79 TP53 (0.48) TP53HTTFOLH1MRGPRX4ALDH1A1
SCHEMBL6393227 0.79 TP53 (0.48) TP53HTTFOLH1MRGPRX4ALDH1A1
SCHEMBL4564517 0.79 TSHR (0.54) L3MBTL1CYP3A4TP53HTTFOLH1

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 L3MBTL1 3891/4885CYP3A4 4538/4885TP53 2115/4885

“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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