SCHEMBL22800876

SCHEMBL22800876

C=CCCCOc1ccnc(-c2ccccc2C(=O)OC)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.39
▸ SLC6A3 Q01959 4/20 0.38
▸ SLC6A4 P31645 3/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ HSP90AA1 P07900 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL22800179 0.94 KDM4E (0.43) KDM4EALDH1A1SLC6A3SLC6A4SLC6A2
SCHEMBL22800871 0.87 ALDH1A1 (0.45) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL22800180 0.81 KDM4E (0.44) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL22800873 0.79 JAK3 (0.33) KDM4EMAPTCYP1A2HTTNPSR1
SCHEMBL22800284 0.78 SLC6A3 (0.43) KDM4EALDH1A1SLC6A3SLC6A4SLC6A2
SCHEMBL22800165 0.77 KDM4E (0.65) KDM4EALDH1A1SLC6A3KMT2AMEN1
SCHEMBL22799654 0.74 SLC6A3 (0.41) KDM4EALDH1A1SLC6A3SLC6A4SLC6A2
SCHEMBL1586163 0.73 SLC6A3 (0.54) KDM4EALDH1A1SLC6A3SLC6A4SLC6A2
SCHEMBL22800160 0.73 KDM4E (0.64) KDM4EALDH1A1SLC6A3KMT2AMEN1
SCHEMBL28576991 0.72 KDM4E (0.62) KDM4EALDH1A1SLC6A3KMT2AMEN1

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 1957/4885ALDH1A1 3918/4885SLC6A3 4764/4885

“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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