SCHEMBL4566994

SCHEMBL4566994

Cc1cc(OCc2ccccc2)c(C=O)cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.44
ERN1 O75460 3/20 0.44
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
LIPE Q05469 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1148548 0.89 GLRA1 (0.46) GLRA1ERN1CCNB2CDK1CDK4
SCHEMBL21822963 0.88 ERN1 (0.43) ERN1CCNB2CDK1CDK4CCNB1
SCHEMBL2267469 0.82 ERN1 (0.43) GLRA1ERN1CCNB2CDK1CDK4
SCHEMBL31056124 0.81 MAPT (0.50) ERN1CCNB2CDK1CDK4CCNB1
SCHEMBL12368068 0.80 HTR1A (0.40) GLRA1ERN1CCNB2CDK1CDK4
SCHEMBL24983810 0.80 MAPT (0.51) ERN1CCNB2CDK1CDK4CCNB1
SCHEMBL12556342 0.80 LIPE (0.55) GLRA1MAPTL3MBTL1MAPK1TDP1
SCHEMBL17833744 0.79 CHRNA7 (0.47) GLRA1MAPTL3MBTL1MAPK1TDP1
SCHEMBL2908502 0.79 FFAR4 (0.49) ERN1CCNB2CDK1CDK4CCNB1
SCHEMBL4566984 0.78 MCL1 (0.54) GLRA1MAPTL3MBTL1TDP1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2017-11-09 US disclosed
US-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-12-24 US disclosed
US-9120745-B2 Triazole compounds that modualte HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-09-01 US disclosed
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-07-02 US disclosed
US-20150174134-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-8993608-B2 Method for inhibiting topoisomerase II SYNTA PHARMACEUTICALS CORP. (US) 2015-03-31 US disclosed
US-8927548-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-06 US disclosed
US-20140296186-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2014-10-02 US disclosed
US-8742133-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
US-20140141511-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2014-05-22 US disclosed
US-20120122869-A1 TRIZAOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-05-17 US disclosed
US-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-08-11 US disclosed
US-20110046125-A1 METHOD FOR TREATING INFECTIONS SYNTA PHARMACEUTICALS CORP. (US) 2011-02-24 US disclosed
US-20100249185-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP. 2010-09-30 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 (10 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-20120122869-A1 TRIZAOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, CDC37 GLRA1 3514/4885ERN1 1083/4885CCNB2 1093/4885
US-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 GLRA1 3902/4885ERN1 1808/4885CCNB2 998/4885
US-20150174134-A1 METHOD FOR INHIBITING TOPOISOMERASE II TOP2A, TOP2B, TOP1 GLRA1 4278/4885ERN1 2486/4885CCNB2 334/4885
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 GLRA1 3902/4885ERN1 1808/4885CCNB2 998/4885
US-20140141511-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 GLRA1 4211/4885ERN1 4113/4885CCNB2 4323/4885
US-20140296186-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 GLRA1 3902/4885ERN1 1808/4885CCNB2 998/4885
US-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 GLRA1 3902/4885ERN1 1808/4885CCNB2 998/4885
US-20100249185-A1 METHOD FOR INHIBITING TOPOISOMERASE II TOP2A, TOP2B, TOP1 GLRA1 4278/4885ERN1 2486/4885CCNB2 334/4885
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 GLRA1 4211/4885ERN1 4113/4885CCNB2 4323/4885
US-20110046125-A1 METHOD FOR TREATING INFECTIONS HSP90AB1, HSP90B1, HSP90AA1 GLRA1 4595/4885ERN1 2445/4885CCNB2 4104/4885

“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.