SCHEMBL4083414

SCHEMBL4083414

CC(C)(C)c1cc(C(=O)O)nn1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 1.00
CNR1 P21554 6/20 0.65
CNR2 P34972 6/20 0.65
RPA1 P27694 3/20 0.58
GRN P28799 1/20 0.55
SORT1 Q99523 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
PPP1CA P62136 1/20 0.49
BCL2 P10415 2/20 0.48
MDM2 Q00987 2/20 0.48
MCL1 Q07820 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SCN9A Q15858 1/20 0.47

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
SCHEMBL28287989 0.86 ALDH1A1 (0.76) ALDH1A1CNR1CNR2RPA1PPP1CA
SCHEMBL3975817 0.84 ALDH1A1 (0.72) ALDH1A1CNR1CNR2RPA1L3MBTL1
SCHEMBL1107620 0.83 ALDH1A1 (0.70) ALDH1A1CNR1CNR2
SCHEMBL31377474 0.82 ALDH1A1 (0.68) ALDH1A1CNR1CNR2MEN1KMT2A
SCHEMBL4504962 0.81 ALDH1A1 (0.67) ALDH1A1CNR1CNR2RPA1L3MBTL1
SCHEMBL1259296 0.78 ALDH1A1 (0.64) ALDH1A1RPA1L3MBTL1PPP1CABCL2
SCHEMBL23401799 0.78 ALDH1A1 (0.64) ALDH1A1CNR1CNR2GRNSORT1
SCHEMBL2028916 0.78 ALDH1A1 (0.62) ALDH1A1CNR1CNR2MCL1
SCHEMBL1143854 0.78 RPA1 (0.67) ALDH1A1RPA1L3MBTL1PPP1CABCL2
SCHEMBL18358776 0.77 ALDH1A1 (0.61) ALDH1A1CNR1CNR2RPA1MEN1

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
WO-2008141358-A1 FRAGMENTATION PROFILE BASED AUTHENTIFICATION OF PROTEIN SOURCE PROTEOMICS INTERNATIONAL PTY LTD (AU) 2008-11-27 WO claimed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2008130322-A1 NOVEL 5-HETEROCYCLYL-CHROMANE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 ALDH1A1 1426/4885CNR1 1740/4885CNR2 2684/4885

“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.