SCHEMBL3315040

SCHEMBL3315040

CCOC(=O)C(=O)C(Cl)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MMP8 P22894 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 2/20 0.44
PIN1 Q13526 1/20 0.44
CASP1 P29466 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
NPC1 O15118 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
SCHEMBL287308 0.84 MMP8 (0.56) MEN1KMT2AMMP8SMN1; SMN2TSHR
SCHEMBL30062331 0.84 MMP8 (0.56) MEN1KMT2AMMP8SMN1; SMN2TSHR
SCHEMBL10546414 0.83 CASP1 (0.55) MEN1KMT2AMMP8ALDH1A1MAPT
SCHEMBL9750600 0.83 MAPT (0.47) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL7636543 0.81 MEN1 (0.54) MEN1KMT2AMMP8ALDH1A1MAPT
SCHEMBL496468 0.80 KMT2A (0.50) KMT2ATSHRLMNACYP1A2CYP2D6
SCHEMBL5962065 0.80 MEN1 (0.43) MEN1KMT2AMMP8ALDH1A1MAPT
SCHEMBL5964020 0.79 CES2 (0.60) MEN1KMT2AMMP8ALDH1A1MAPT
SCHEMBL6558799 0.79 MMP8 (0.64) MEN1KMT2AMMP8ALDH1A1MAPT
SCHEMBL10964474 0.79 MEN1 (0.49) MEN1KMT2AMMP8ALDH1A1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605784-B Aza-bridged-ring compound ASTELLAS PHARMA INC JP 2013-04-10 CN disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
CN-101605784-A Aza-bridged-ring compound ASTELLAS PHARMA INC (JP) 2009-12-16 CN disclosed
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed
US-5378803-A Analgesics, substance P antagonists, peptides containing thiazole, oxazole or imidazole ring and indole ring STERLING WINTHROP INC. (US) 1995-01-03 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-20100105658-A1 AZA-BRIDGED-RING COMPOUND CHRM3, CHRM1, CHRM2 MEN1 4138/4885KMT2A 496/4885MMP8 505/4885

“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.