SCHEMBL22800780

SCHEMBL22800780

C/C=C/C[C@H](NC(=O)c1ccccc1COCCOCC)C(=O)N(C)OC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 2/20 0.37
▸ CAPN1 P07384 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ UTS2R Q9UKP6 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ JAK3 P52333 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL22800074 0.82 ICMT (0.35) ICMTCAPN1KDM4EUTS2RHTT
SCHEMBL22800782 0.81 ICMT (0.37) ICMTCAPN1ALDH1A1KDM4EHPGD
SCHEMBL22800781 0.76 CAPN1 (0.35) ICMTCAPN1ALDH1A1KDM4EHPGD
SCHEMBL22800194 0.73 CAPN1 (0.47) ICMTCAPN1KDM4EHPGDMEN1
SCHEMBL22800072 0.71 CAPN1 (0.34) ICMTCAPN1KDM4EHTTTDP1
SCHEMBL22799765 0.69 MAPT (0.35) ALDH1A1UTS2RTDP1JAK3BTK
SCHEMBL22799633 0.69 LIG1 (0.44) ALDH1A1KDM4EHPGDTDP1MEN1
SCHEMBL22800170 0.68 KDM4E (0.43) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL22800154 0.68 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL22800135 0.65 CAPN1 (0.49) ICMTCAPN1

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 ICMT 4672/4885CAPN1 3/4885ALDH1A1 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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