SCHEMBL12437116

SCHEMBL12437116

CC(C)(C)CC(c1ccco1)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 2/20 0.48
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL12437163 0.88 ALDH1A1 (0.46) ALDH1A1MAPTTSHRLMNAL3MBTL1
SCHEMBL1760870 0.80 ATM (0.52) ATMALDH1A1TP53MAPTTSHR
SCHEMBL11989193 0.78 CYP3A4 (0.49) ALDH1A1TSHRNPSR1LMNAMEN1
SCHEMBL11989196 0.74 MAPT (0.47) ATMALDH1A1TP53MAPTTSHR
SCHEMBL1472784 0.74 MAPK1 (0.53) ATMALDH1A1TP53MAPTTSHR
SCHEMBL13560870 0.73 P2RX7 (0.49) ALDH1A1MAPTTSHRMAPK1NPSR1
SCHEMBL21783607 0.72 IDH1 (0.52) ALDH1A1TP53MAPK1LMNAL3MBTL1
SCHEMBL14435408 0.69 ALDH1A1 (0.49) ALDH1A1MAPTTSHRNPSR1LMNA
SCHEMBL14062942 0.68 ALOX5 (0.37) ALDH1A1TP53MAPTMAPK1L3MBTL1
SCHEMBL2960945 0.67 ALDH1A1 (0.54) ATMALDH1A1TP53MAPTTSHR

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 4 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-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 ATM 3369/4885ALDH1A1 513/4885TP53 1/4885
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD ATM 4610/4885ALDH1A1 591/4885TP53 7/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD ATM 4610/4885ALDH1A1 591/4885TP53 7/4885

“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.