SCHEMBL12513636

SCHEMBL12513636

CCCC(c1ccco1)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
GAA P10253 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 4/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
RCE1 Q9Y256 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1760870 0.87 ATM (0.52) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL14435408 0.86 ALDH1A1 (0.49) ALDH1A1GAAMEN1KMT2AGLA
SCHEMBL40511 0.80 ALDH1A1 (0.44) ALDH1A1GAAMEN1KMT2AGLA
SCHEMBL12437163 0.79 ALDH1A1 (0.46) ALDH1A1GAAMEN1KMT2AGLA
Hydrochloric Acid SCHEMBL43284 0.78 ALDH1A1 (0.43) ALDH1A1GAAMEN1KMT2AGLA
SCHEMBL2092093 0.77 ALDH1A1 (0.51) ALDH1A1GAAMEN1KMT2AGLA
SCHEMBL9367036 0.74 TSHR (0.64) ALDH1A1GAAMEN1KMT2AGLA
SCHEMBL10598753 0.74 OPRM1 (0.63) ALDH1A1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL2092097 0.73 ALDH1A1 (0.66) ALDH1A1GAAMEN1KMT2AGLA
SCHEMBL113896 0.72 CYP1A2 (0.62) ALDH1A1SLC6A2SLC6A4SLC6A3TSHR

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-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 US disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 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 (3 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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF TP53, BCOR, HPGDS ALDH1A1 513/4885GAA 567/4885MEN1 3570/4885
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD ALDH1A1 591/4885GAA 487/4885MEN1 3974/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD ALDH1A1 591/4885GAA 487/4885MEN1 3974/4885

“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.