SCHEMBL22800083

SCHEMBL22800083

C=CCCCCCc1ncccc1C(=O)N[C@@H](CC=C)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ CAPN1 P07384 4/20 0.38
▸ DAGLA Q9Y4D2 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ CYP26A1 O43174 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL22800230 0.84 CYP4F2 (0.39) MAPTKMT2AHTTCYP26A1HPGD
SCHEMBL22800227 0.84 CYP4F2 (0.39) MAPTKMT2AHTTCYP26A1HPGD
SCHEMBL22799768 0.84 CYP4F2 (0.39) MAPTKMT2AHTTCYP26A1HPGD
SCHEMBL22800090 0.73 KDM4E (0.44) MAPTDAGLAHPGDCYP3A4
SCHEMBL22800062 0.69 DAGLA (0.36) DAGLA
SCHEMBL28859968 0.68 TAS1R3 (0.46) MAPTKMT2ACYP26A1HPGD
SCHEMBL22799765 0.67 MAPT (0.35) MAPT
SCHEMBL15663043 0.67 ALDH1A1 (0.49) MAPTHPGD
SCHEMBL15663046 0.67 ALDH1A1 (0.49) MAPTHPGD
SCHEMBL12308107 0.67 KMT2A (0.44) MAPTCAPN1MAPK1KMT2AHTT

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 472/4885CAPN1 3/4885DAGLA 2899/4885

“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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