SCHEMBL22799633

SCHEMBL22799633

C=CCOCCOc1ccccc1C(=O)N[C@@H](CC=C)C(=O)N(C)OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LIG1 P18858 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ PTK2B Q14289 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL22800170 0.88 KDM4E (0.43) LIG1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL22800154 0.88 ALDH1A1 (0.46) LIG1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL22800150 0.87 KDM4E (0.42) LIG1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL22800074 0.86 ICMT (0.35) LIG1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL22800153 0.79 PTGER4 (0.34) KMT2AUSP2RAB9A
SCHEMBL22799630 0.75 KDM4E (0.59) LIG1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL22799638 0.74 KDM4E (0.38) LIG1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL22799765 0.73 MAPT (0.35) ALDH1A1LMNATHRBTDP1
SCHEMBL22800133 0.71 LIG1 (0.46) LIG1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL20028240 0.71 DCAF1 (0.46) ALDH1A1

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 LIG1 4527/4885ALDH1A1 3918/4885KDM4E 1957/4885

“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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