SCHEMBL4558685

SCHEMBL4558685

CCN(C(=O)C1(c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
ALDH1A1 P00352 3/20 0.56
TSHR P16473 2/20 0.56
GLA P06280 1/20 0.56
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
OPRM1 P35372 2/20 0.46
TP53 P04637 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
PRCP P42785 1/20 0.45
POLB P06746 1/20 0.44
AKR1C1 Q04828 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4560517 0.94 SLC6A2 (0.54) SLC6A2SLC6A4ALDH1A1TSHRGLA
SCHEMBL4558508 0.92 SLC6A2 (0.53) SLC6A2SLC6A4ALDH1A1TSHRGLA
SCHEMBL378658 0.85 SLC6A4 (0.47) SLC6A2SLC6A4ALDH1A1TSHRGLA
SCHEMBL157791 0.81 SLC6A4 (0.54) SLC6A2SLC6A4OPRM1
Hydrochloric Acid SCHEMBL27797653 0.80 SLC6A2 (0.55) SLC6A2SLC6A4ALDH1A1OPRM1POLB
SCHEMBL12497899 0.80 AKR1C1 (0.48) ALDH1A1TSHRMEN1KMT2AOPRM1
SCHEMBL2595399 0.79 TSHR (0.62) SLC6A2SLC6A4ALDH1A1TSHRGLA
Hydrochloric Acid SCHEMBL2236360 0.79 ALDH1A1 (0.58) SLC6A2SLC6A4ALDH1A1TSHRGLA
SCHEMBL378699 0.78 OPRM1 (0.43) SLC6A2SLC6A4TSHRMEN1KMT2A
SCHEMBL1415853 0.76 SLC6A4 (0.56) SLC6A2SLC6A4ALDH1A1TSHRGLA

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-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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 (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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 SLC6A2 2953/4885SLC6A4 2834/4885ALDH1A1 532/4885

“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.