SCHEMBL13958863

SCHEMBL13958863

Cc1ccc(Oc2cccc(CNC(C)(C)C)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ FFAR1 O14842 5/20 0.48
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PPARG P37231 2/20 0.43
▸ PPARD Q03181 2/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ FAAH O00519 1/20 0.42
▸ MAPK14 Q16539 2/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.40
▸ CETP P11597 2/20 0.40

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
SCHEMBL13958885 0.89 KDM4E (0.57) ALDH1A1KDM4EHTTSMN1; SMN2FFAR1
SCHEMBL13958845 0.88 ALDH1A1 (0.65) MMP13ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL13958879 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EHTTSMN1; SMN2FFAR1
SCHEMBL14093082 0.87 ALDH1A1 (0.49) MMP13ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL13948897 0.83 MMP13 (0.56) MMP13ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL13958862 0.82 HTR2A (0.45) ALDH1A1KDM4EHTTSMN1; SMN2FFAR1
SCHEMBL13958861 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHTTSMN1; SMN2FFAR1
SCHEMBL13973181 0.80 ALDH1A1 (0.58) MMP13ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL14094667 0.80 ALDH1A1 (0.49) MMP13ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL13958859 0.79 MAPK14 (0.49) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 — — US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 — — US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 — — US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 — — US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 — — 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 (2 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-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP MMP13 1299/4885ALDH1A1 4742/4885KDM4E 4432/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP MMP13 1299/4885ALDH1A1 4742/4885KDM4E 4432/4885

“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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