SCHEMBL6045346

SCHEMBL6045346

c1ccc(Cn2c3c(c4ccccc42)CCCC3)cc1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.94
CA2 P00918 3/20 0.94
HTR6 P50406 1/20 0.81
HDAC1 Q13547 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
FABP4 P15090 1/20 0.65
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
GLA P06280 1/20 0.64
CASP1 P29466 1/20 0.64
CASP7 P55210 1/20 0.64
KMT2A Q03164 1/20 0.64
HSD17B10 Q99714 1/20 0.64
CHRM2 P08172 1/20 0.63
HTR1A P08908 1/20 0.63
ADRA2A P08913 1/20 0.63
CHRM1 P11229 1/20 0.63
DRD1 P21728 1/20 0.63
SLC6A2 P23975 1/20 0.63

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
Acetic Acid SCHEMBL9518648 0.92 CA1 (0.78) CA1CA2HTR6HDAC1HDAC10
Phenylhydrazine SCHEMBL27728167 0.89 CA1 (0.74) CA1CA2HTR6HDAC1HDAC10
SCHEMBL30480040 0.89 CA1 (0.78) CA1CA2HTR6HDAC1HDAC10
SCHEMBL7464584 0.84 CA1 (0.67) CA1CA2HTR6HDAC1HDAC10
SCHEMBL6038295 0.83 CA1 (0.66) CA1CA2HTR6HDAC1HDAC10
SCHEMBL8038616 0.83 CA1 (0.65) CA1CA2HTR6HDAC1HDAC10
SCHEMBL3857256 0.83 CA1 (0.65) CA1CA2HTR6HDAC1HDAC10
SCHEMBL8038611 0.82 CHRM2 (0.85) CA1CA2HTR6HDAC1HDAC10
SCHEMBL12938861 0.81 HDAC6 (1.00) CA1CA2HDAC1HDAC10HDAC6
SCHEMBL1367032 0.80 HDAC6 (0.98) CA1CA2HDAC1HDAC10HDAC6

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-8486990-B2 SirT inhibitors that bind to NAD ELIXIR PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-20060074124-A1 Methods of treating a disorder IPSOL AG (LI) 2006-04-06 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-20060074124-A1 Methods of treating a disorder CPT1B, CYP27A1, CLN6 CA1 2767/4885CA2 4062/4885HTR6 2953/4885

“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.