SCHEMBL22800302

SCHEMBL22800302

C=CCCOc1ccnc(-c2ccccc2C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.45
▸ PTPN11 Q06124 3/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ SLC37A4 O43826 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM6B O15054 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ KDM2A Q9Y2K7 1/20 0.35
▸ KDM3A Q9Y4C1 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL22800285 0.94 ALDH1A1 (0.48) KDM4CPTPN11KDM4EALDH1A1L3MBTL1
SCHEMBL22800304 0.85 TSHR (0.43) KDM4CKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL22800183 0.82 PTPN11 (0.46) PTPN11KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL22800284 0.81 SLC6A3 (0.43) KDM4CPTPN11KDM4EALDH1A1L3MBTL1
SCHEMBL22799652 0.81 KDM4E (0.44) KDM4CPTPN11KDM4ESLC37A4SMN1; SMN2
SCHEMBL22800925 0.78 PTPN11 (0.50) PTPN11KDM4EALDH1A1L3MBTL1GAA
SCHEMBL22800180 0.76 KDM4E (0.44) KDM4CPTPN11KDM4EALDH1A1L3MBTL1
SCHEMBL22800245 0.72 KDM4E (0.47) KDM4EALDH1A1L3MBTL1TDP1
SCHEMBL850469 0.72 KMT2A (0.65) KDM4EALDH1A1L3MBTL1KMT2ANPC1
SCHEMBL3315009 0.71 KDM4E (0.74) KDM4EALDH1A1MEN1KMT2ATDP1

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 KDM4C 3447/4885PTPN11 4064/4885KDM4E 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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