SCHEMBL10246545

SCHEMBL10246545

CCCCOc1cc(OCCCC)c(C(C)C)cc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.41
GLA P06280 1/20 0.41
ALOX15 P16050 1/20 0.41
CRHBP P24387 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL12765849 0.96 KMT2A (0.46) THRATHRBTDP1ALDH1A1HPGD
SCHEMBL12766090 0.93 THRA (0.38) THRATHRBTDP1ALDH1A1HPGD
SCHEMBL12765851 0.90 HSP90AA1 (0.40) THRATHRBTDP1ALDH1A1HPGD
SCHEMBL12726581 0.88 TDP1 (0.38) THRBTDP1ALDH1A1HPGDKDM4E
SCHEMBL20415948 0.86 ALDH1A1 (0.48) TDP1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL10268433 0.85 CYP3A4 (0.56) THRATHRBALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4567029 0.85 PTPN11 (0.50) THRATHRBALDH1A1SMN1; SMN2TP53
SCHEMBL1018574 0.84 CHEK1 (0.41) TDP1ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL10268910 0.84 THRA (0.43) THRATHRBTDP1ALDH1A1L3MBTL1
SCHEMBL16482751 0.80 ALDH1A1 (0.44) TDP1ALDH1A1HPGDL3MBTL1KDM4E

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 57 patents — showing the first 20. 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-9206162-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-12-08 US disclosed
US-20150266858-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2015-09-24 US disclosed
US-9120745-B2 Triazole compounds that modualte HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-09-01 US disclosed
US-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 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-9006277-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-04-14 US disclosed
WO-2008057246-A2 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2008-05-15 WO disclosed
WO-2008051416-A2 COMPOUNDS THAT INHIBIT THE ACTIVITY OF HSP90 FOR TREATING INFECTIONS SYNTA PHARMACEUTICALS CORP. (US) 2008-05-02 WO disclosed
US-20080090887-A1 Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles SYNTA PHARMACEUTICALS CORP. 2008-04-17 US disclosed
WO-2007139951-A9 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH PROTOONCOGENE PRODUCTS SYNTA PHARMACEUTICALS CORP (US) 2008-01-31 WO disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
WO-2007139967-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
WO-2007139951-A2 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH PROTOONCOGENE PRODUCTS SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
WO-2007094819-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-08-23 WO disclosed
US-20070155809-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-07-05 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 (9 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-20150174134-A1 METHOD FOR INHIBITING TOPOISOMERASE II TOP2A, TOP2B, TOP1 THRA 4064/4885THRB 3861/4885TDP1 39/4885
US-20080090887-A1 Heat Shock Protein 90 (HSP90); treating cancer, inflammatory disorders, angiogenesis inhibition, infections; 3-substituted-4-fused(hetero)aryl-5-phenyl-4H-1,2,4-triazoles HSP90AB1, HSP90AA1, HSP90AB2P THRA 3881/4885THRB 3726/4885TDP1 2917/4885
US-20070155809-A1 Triazole compounds that modulate HSP90 activity HSP90AB1, HSP90B1, HSP90AA1 THRA 3795/4885THRB 3393/4885TDP1 514/4885
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 THRA 3795/4885THRB 3393/4885TDP1 514/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 THRA 3874/4885THRB 4058/4885TDP1 718/4885
US-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 THRA 3795/4885THRB 3393/4885TDP1 514/4885
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 THRA 2815/4885THRB 3669/4885TDP1 3300/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 THRA 2347/4885THRB 2199/4885TDP1 792/4885
US-20150266858-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 THRA 3795/4885THRB 3393/4885TDP1 514/4885

“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.