SCHEMBL22800170

SCHEMBL22800170

C=CCCCOc1ccccc1C(=O)N[C@@H](CC=C)C(=O)N(C)OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ LIG1 P18858 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HCRTR1 O43613 2/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL22800150 0.97 KDM4E (0.42) KDM4ELIG1ALDH1A1HCRTR1MEN1
SCHEMBL22800154 0.92 ALDH1A1 (0.46) KDM4ELIG1ALDH1A1MEN1KMT2A
SCHEMBL22799633 0.88 LIG1 (0.44) KDM4ELIG1ALDH1A1MEN1KMT2A
SCHEMBL22799638 0.83 KDM4E (0.38) KDM4ELIG1ALDH1A1MEN1KMT2A
SCHEMBL22799765 0.83 MAPT (0.35) ALDH1A1THRBLMNA
SCHEMBL22800873 0.81 JAK3 (0.33) KDM4ETSHRNPSR1
SCHEMBL22800283 0.81 FNTA (0.34) KDM4EALDH1A1
SCHEMBL22800181 0.78 KDM4E (0.37) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL22800074 0.76 ICMT (0.35) KDM4ELIG1MEN1KMT2ALMNA
SCHEMBL22800165 0.73 KDM4E (0.65) KDM4ELIG1ALDH1A1MEN1KMT2A

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 KDM4E 1957/4885LIG1 4527/4885ALDH1A1 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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