SCHEMBL22799715

SCHEMBL22799715

C=CC[C@H](NC(=O)c1ccccc1OCCCC)C(=O)C(=O)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ CAPN1 P07384 6/20 0.47
▸ GALR1 P47211 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ SGMS2 Q8NHU3 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40

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
SCHEMBL22800154 0.77 ALDH1A1 (0.46) ALDH1A1GALR1NPSR1LMNATP53
SCHEMBL22799838 0.76 ALDH1A1 (0.51) ALDH1A1CAPN1GALR1NPSR1LMNA
SCHEMBL12983793 0.73 ALDH1A1 (0.55) ALDH1A1GALR1NPSR1LMNATP53
SCHEMBL22801013 0.73 MAPT (0.40) CTSKCAPN1TSHRMAPTTHRB
SCHEMBL2327662 0.70 ALDH1A1 (0.54) ALDH1A1GALR1NPSR1LMNATP53
SCHEMBL2327655 0.70 ALDH1A1 (0.54) ALDH1A1GALR1NPSR1LMNATP53
SCHEMBL22800170 0.69 KDM4E (0.43) ALDH1A1NPSR1LMNATP53HPGD
SCHEMBL2324537 0.69 ALDH1A1 (0.53) ALDH1A1GALR1NPSR1LMNATP53
SCHEMBL2326789 0.69 RAB9A (0.53) ALDH1A1NPSR1TP53KMT2A
SCHEMBL2326786 0.69 RAB9A (0.53) ALDH1A1NPSR1TP53KMT2A

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 3918/4885CTSK 118/4885CAPN1 3/4885

“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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