SCHEMBL7083850

SCHEMBL7083850

C=C(C)C(CCCN1CCC1=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HDAC2 Q92769 1/20 0.38
SSTR4 P31391 2/20 0.37
SSTR3 P32745 2/20 0.37
SSTR5 P35346 2/20 0.37
SSTR1 P30872 1/20 0.37
SSTR2 P30874 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MAPT P10636 2/20 0.36
FAAH O00519 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4317705 0.76 PKM (0.44) PKMALDH1A1GAAKMT2AMEN1
SCHEMBL4314794 0.76 PKM (0.44) PKMALDH1A1GAAKMT2AMEN1
SCHEMBL4036783 0.70 PKM (0.57) PKMALDH1A1GAAKMT2AMEN1
SCHEMBL8766975 0.69 ADRA1B (0.44) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL8772464 0.67 KMT2A (0.45) KMT2AMEN1NPC1RAB9ASLC6A2
SCHEMBL11513541 0.66 NPC1 (0.58) GAAKMT2AMEN1NPC1RAB9A
SCHEMBL131141 0.64 POLB (0.42) PKMALDH1A1KMT2AMEN1SLC6A2
SCHEMBL8553752 0.64 CACNA2D1 (0.40) PKMKMT2AMEN1SLC6A2SLC6A4
SCHEMBL9708647 0.64 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL4314801 0.64 POLB (0.43) ALDH1A1KMT2AMEN1SLC6A2POLB

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-20030149084-A1 Cytostatic agents AYSCOUGH ANDREW PAUL (GB) 2003-08-07 US disclosed
US-6495597-B1 N-FORMYL HYDROXYLAMINE DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-12-17 US disclosed
EP-1054861-A1 CYTOSTATIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-11-29 EP disclosed
WO-1999041232-A1 CYTOSTATIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-19 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-20030149084-A1 Cytostatic agents MCTS1, NNMT, MMP12 PKM 2533/4885ALDH1A1 650/4885GAA 1570/4885

“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.