SCHEMBL6811092

SCHEMBL6811092

C=CCN1C(=O)CCc2cc(C(=O)O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44
ATAD2 Q6PL18 1/20 0.42
ALDH1A1 P00352 2/20 0.40
SRD5A1 P18405 3/20 0.39
SRD5A2 P31213 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
APEX1 P27695 1/20 0.38
HTR7 P34969 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL12193460 0.89 GAA (0.41) HDAC1HDAC8HDAC6ALDH1A1CA12
SCHEMBL6808194 0.88 ATAD2 (0.44) HDAC1HDAC8HDAC6ATAD2ALDH1A1
SCHEMBL6812177 0.85 HDAC8 (0.47) HDAC1HDAC8HDAC6ATAD2ALDH1A1
SCHEMBL6811559 0.84 SRD5A1 (0.42) HDAC1HDAC8HDAC6ATAD2ALDH1A1
SCHEMBL11061547 0.82 ATAD2 (0.44) HDAC1HDAC8HDAC6ATAD2LMNA
SCHEMBL20335483 0.79 ATAD2 (0.67) HDAC1HDAC8HDAC6ATAD2ALDH1A1
SCHEMBL436376 0.79 ATAD2 (0.48) ATAD2ALDH1A1SRD5A1TP53MAPT
SCHEMBL10839113 0.77 DRD2 (0.54) HTR7POLB
SCHEMBL6816345 0.77 ALDH1A1 (0.47) HDAC1HDAC8HDAC6ALDH1A1TP53
SCHEMBL11784963 0.77 GSK3B (0.45) ALDH1A1SRD5A1SRD5A2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO 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-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 HDAC1 3173/4885HDAC8 3080/4885HDAC6 3196/4885

“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.