SCHEMBL6572187

SCHEMBL6572187

CC(C)OCCCNC(=O)c1ccc(C(=O)NO)cc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.81
TSHR P16473 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
SMN1; SMN2 Q16637 2/20 0.70
HTT P42858 1/20 0.70
TP53 P04637 1/20 0.64
PKM P14618 1/20 0.64
PAX8 Q06710 1/20 0.62
NAMPT P43490 1/20 0.56
LMNA P02545 3/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
NPC1 O15118 1/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
KDM4E B2RXH2 1/20 0.53
GAA P10253 2/20 0.51

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
SCHEMBL12301886 0.88 ALDH1A1 (0.76) ALDH1A1TSHRL3MBTL1SMN1; SMN2HTT
SCHEMBL4339089 0.88 PAX8 (0.78) ALDH1A1TSHRL3MBTL1SMN1; SMN2HTT
SCHEMBL12882984 0.85 TSHR (1.00) ALDH1A1TSHRL3MBTL1SMN1; SMN2HTT
SCHEMBL13762071 0.85 ALDH1A1 (0.72) ALDH1A1TSHRL3MBTL1SMN1; SMN2HTT
SCHEMBL6428144 0.81 SMN1; SMN2 (0.65) ALDH1A1TSHRL3MBTL1SMN1; SMN2HTT
SCHEMBL11737153 0.80 ALDH1A1 (0.65) ALDH1A1TSHRL3MBTL1SMN1; SMN2HTT
SCHEMBL2956035 0.80 ALDH1A1 (0.64) ALDH1A1TSHRL3MBTL1SMN1; SMN2HTT
SCHEMBL13450859 0.77 TSHR (0.64) ALDH1A1TSHRL3MBTL1SMN1; SMN2HTT
SCHEMBL5553203 0.77 KMT2A (0.72) ALDH1A1TSHRL3MBTL1SMN1; SMN2HTT
SCHEMBL5924124 0.77 ALDH1A1 (0.61) ALDH1A1TSHRL3MBTL1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214862-A1 Aromatic dicarboxylic acid derivatives LESER-REIFF ULRIKE 2004-10-28 US claimed
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HOFFMANN-LA ROCHE INC. 2003-01-16 US claimed
US-20040214862-A1 Aromatic dicarboxylic acid derivatives LESER-REIFF ULRIKE 2004-10-28 US disclosed
US-6784173-B2 ANTIPROLIFERATIVE AGENTS; ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2004-08-31 US disclosed
EP-1401824-A2 AROMATIC HYDROXAMIC ACID DERIVATIVES USEFUL AS HDAC INHIBITORS F. Hoffman-la Roche AG (CH) 2004-03-31 EP disclosed
WO-2003011851-A2 AROMATIC HYDROXAMIC ACID DERIVATIVES USEFUL AS HDAC INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2003-02-13 WO disclosed
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HOFFMANN-LA ROCHE INC. 2003-01-16 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-20040214862-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 ALDH1A1 71/4885TSHR 3423/4885L3MBTL1 2064/4885
US-20030013757-A1 Aromatic dicarboxylic acid derivatives HDAC1, HDAC2, HDAC11 ALDH1A1 71/4885TSHR 3423/4885L3MBTL1 2064/4885

“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.