SCHEMBL22800285

SCHEMBL22800285

C=CCCCOc1ccnc(-c2ccccc2C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ PTPN11 Q06124 3/20 0.46
▸ KDM4C Q9H3R0 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.38
▸ CYP4F2 P78329 3/20 0.37
▸ CYP4A11 Q02928 3/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL22800302 0.94 KDM4C (0.45) ALDH1A1L3MBTL1PTPN11KDM4CKDM4E
SCHEMBL22800284 0.87 SLC6A3 (0.43) ALDH1A1L3MBTL1PTPN11KDM4CKDM4E
SCHEMBL22800304 0.82 TSHR (0.43) ALDH1A1L3MBTL1KDM4CKDM4EMEN1
SCHEMBL22800183 0.77 PTPN11 (0.46) ALDH1A1L3MBTL1PTPN11KDM4ECYP4F2
Hydrochloric Acid SCHEMBL9177131 0.77 ALDH1A1 (0.55) ALDH1A1L3MBTL1PTPN11KDM4EDHODH
SCHEMBL22800871 0.76 ALDH1A1 (0.45) ALDH1A1L3MBTL1PTPN11KDM4CKDM4E
SCHEMBL18763585 0.76 ALDH1A1 (0.53) ALDH1A1L3MBTL1PTPN11HDAC3HDAC4
SCHEMBL22799652 0.75 KDM4E (0.44) PTPN11KDM4CKDM4E
SCHEMBL14554479 0.74 CCR1 (0.44) ALDH1A1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL8604099 0.73 PTPN11 (0.59) ALDH1A1L3MBTL1PTPN11DHODHHDAC3

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 ALDH1A1 3918/4885L3MBTL1 3891/4885PTPN11 4064/4885

“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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