SCHEMBL13611522

SCHEMBL13611522

CCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ALDH1A1 P00352 3/20 0.51
TP53 P04637 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
PLK1 P53350 1/20 0.48
HPGD P15428 3/20 0.46
SSTR3 P32745 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MLYCD O95822 1/20 0.45

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
SCHEMBL13625100 1.00 HDAC4 (0.55) HDAC4HDAC6ALDH1A1TP53TAS1R3
SCHEMBL4563957 1.00 HDAC4 (0.55) HDAC4HDAC6ALDH1A1TP53TAS1R3
SCHEMBL4564140 1.00 HDAC4 (0.55) HDAC4HDAC6ALDH1A1TP53TAS1R3
SCHEMBL4563958 1.00 HDAC4 (0.55) HDAC4HDAC6ALDH1A1TP53TAS1R3
SCHEMBL12810188 0.83 HDAC4 (0.59) HDAC4HDAC6ALDH1A1TAS1R3TAS1R1
SCHEMBL3428340 0.81 CCR2 (0.58) HDAC4HDAC6ALDH1A1TAS1R3TAS1R1
SCHEMBL4294360 0.80 ALDH1A1 (0.55) ALDH1A1TP53TAS1R3TAS1R1MAPT
SCHEMBL13625101 0.80 ALDH1A1 (0.55) ALDH1A1TP53TAS1R3TAS1R1MAPT
SCHEMBL4294365 0.80 ALDH1A1 (0.55) ALDH1A1TP53TAS1R3TAS1R1MAPT
SCHEMBL12810185 0.80 HDAC4 (0.56) HDAC4HDAC6TAS1R3TAS1R1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778305-B2 PSMA-binding agents and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-15 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 HDAC4 328/4885HDAC6 186/4885ALDH1A1 231/4885

“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.