SCHEMBL22799718

SCHEMBL22799718

CC/C=C\c1ccccc1C[C@@H](C=O)NC(=O)c1ccccc1OCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 9/20 0.44
▸ GALR1 P47211 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL22799838 0.77 ALDH1A1 (0.51) CAPN1GALR1ALDH1A1MEN1KMT2A
SCHEMBL7966214 0.68 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ANR1I2LMNA
SCHEMBL10257995 0.68 MEN1 (0.68) ALDH1A1MEN1KMT2ANR1I2LMNA
SCHEMBL7849957 0.67 CTSK (0.50) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL12983793 0.67 ALDH1A1 (0.55) GALR1ALDH1A1MEN1KMT2ANR1I2
SCHEMBL22800133 0.67 LIG1 (0.46) CAPN1ALDH1A1MEN1KMT2ALMNA
SCHEMBL7966210 0.67 TSHR (0.63) ALDH1A1MEN1KMT2ANR1I2LMNA
SCHEMBL11264123 0.66 LMNA (0.54) ALDH1A1MEN1KMT2ANR1I2LMNA
SCHEMBL24863013 0.66 CAPN1 (0.66) CAPN1ALDH1A1LMNATP53
SCHEMBL11331258 0.66 ALDH1A1 (0.78) ALDH1A1MEN1KMT2ANR1I2LMNA

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 CAPN1 3/4885GALR1 3979/4885ALDH1A1 3918/4885

“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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