SCHEMBL501283

SCHEMBL501283

Cc1cc(O)[c]cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
TRPA1 O75762 2/20 0.38
SLC6A2 P23975 2/20 0.38
HTR2B P41595 2/20 0.38
CHRM1 P11229 1/20 0.38
ADRA1A P35348 1/20 0.38
GABRA1 P14867 6/20 0.35
GABRB1 P18505 4/20 0.35
GABRB2 P47870 4/20 0.35
PTGS1 P23219 2/20 0.33
CYP1A2 P05177 2/20 0.33
FAAH O00519 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRG2 P18507 1/20 0.33
HTR2C P28335 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL4301891 0.80 LMNA (0.43) LMNACA1CA2TRPA1SLC6A2
SCHEMBL27279251 0.74 LMNA (0.39) LMNAGABRA1GABRB1
SCHEMBL3598860 0.74
SCHEMBL8189144 0.72
SCHEMBL2287151 0.70 LMNA (0.47) LMNACA1CA2TRPA1SLC6A2
SCHEMBL6940276 0.68
SCHEMBL5661333 0.68
SCHEMBL15012642 0.67 LMNA (0.56) LMNACA1CA2TRPA1SLC6A2
SCHEMBL929876 0.67
SCHEMBL8674907 0.67 LMNA (0.42) LMNACA1CA2TRPA1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 US disclosed
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 US disclosed
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 US disclosed
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 US disclosed
US-8486932-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2013-07-16 US disclosed
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-04-26 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
EP-2323737-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2011-05-25 EP disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 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 (4 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-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 LMNA 4198/4885CA1 4768/4885CA2 4333/4885
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 LMNA 4198/4885CA1 4768/4885CA2 4333/4885
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 LMNA 4198/4885CA1 4768/4885CA2 4333/4885
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 LMNA 4198/4885CA1 4768/4885CA2 4333/4885

“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.