SCHEMBL22801013

SCHEMBL22801013

C=CC[C@H](NC(=O)c1ccccc1CCCCC)C(=O)C(=O)NCC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CAPN1 P07384 7/20 0.38
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CTSK P43235 1/20 0.35
▸ NAAA Q02083 1/20 0.34
▸ CYSLTR2 Q9NS75 3/20 0.34
▸ CYSLTR1 Q9Y271 3/20 0.34
▸ FAAH O00519 2/20 0.34
▸ KDR P35968 1/20 0.34

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
SCHEMBL22800999 0.79 CAPN1 (0.47) MAPTTHRATHRBCAPN1TSHR
SCHEMBL22800227 0.74 CYP4F2 (0.39) MAPTTHRATHRBTSHRHTT
SCHEMBL22799768 0.74 CYP4F2 (0.39) MAPTTHRATHRBTSHRHTT
SCHEMBL22800230 0.74 CYP4F2 (0.39) MAPTTHRATHRBTSHRHTT
SCHEMBL22799715 0.73 ALDH1A1 (0.48) MAPTTHRBCAPN1TSHRCTSK
SCHEMBL2326565 0.72 CA12 (0.41) HTTNAAACYSLTR2CYSLTR1
SCHEMBL2326571 0.72 CA12 (0.41) HTTNAAACYSLTR2CYSLTR1
SCHEMBL12984473 0.72 CA2 (0.43) TSHRHTT
SCHEMBL2328069 0.71 CYSLTR2 (0.41) NAAACYSLTR2CYSLTR1
SCHEMBL2328207 0.71 CA2 (0.45) CYSLTR2CYSLTR1

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 MAPT 472/4885THRA 3614/4885THRB 2737/4885

“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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