SCHEMBL22799733

SCHEMBL22799733

O=CC1CCCCCCOCc2ccccc2C(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
PARP1 P09874 4/20 0.36
TDP2 O95551 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35
MAP3K14 Q99558 1/20 0.35
MAOA P21397 4/20 0.34
MAOB P27338 3/20 0.34
ALDH1A1 P00352 3/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL22799849 1.00 TSHR (0.38) TSHRPARP1TDP2CASP3CASP7
SCHEMBL22799735 1.00 TSHR (0.38) TSHRPARP1TDP2CASP3CASP7
SCHEMBL22799734 0.96 TSHR (0.38) TSHRPARP1TDP2CASP3CASP7
SCHEMBL22800026 0.93 TSHR (0.37) TSHRPARP1TDP2CASP3CASP7
SCHEMBL22799716 0.83 TSHR (0.35) TSHRPARP1TDP2CASP3CASP7
SCHEMBL22799646 0.82 TSHR (0.40) TSHRPARP1TDP2CASP3CASP7
SCHEMBL22799843 0.82 CYP2A6 (0.45) TSHRPARP1TDP2CASP3CASP7
SCHEMBL22799901 0.82 CYP2A6 (0.45) TSHRPARP1TDP2CASP3CASP7
SCHEMBL22799721 0.82 CYP2A6 (0.45) TSHRPARP1TDP2CASP3CASP7
SCHEMBL22800451 0.81 TSHR (0.36) TSHRPARP1TDP2CASP3CASP7

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 TSHR 4556/4885PARP1 366/4885TDP2 1199/4885

“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.