SCHEMBL2040675

SCHEMBL2040675

COCOCC1(C)CCC(Cc2ccc(Cl)cc2)(C(=O)OC)C1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.36
TACR3 P29371 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
FPR2 P25090 2/20 0.32
PROKR1 Q8TCW9 2/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
SSTR1 P30872 1/20 0.31
SSTR4 P31391 1/20 0.31
OPRL1 P41146 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL17589774 0.91 TACR1 (0.39) TACR1TACR3POLBALDH1A1SMN1; SMN2
SCHEMBL2032281 0.89 TACR1 (0.38) TACR1TACR3POLBALDH1A1SMN1; SMN2
SCHEMBL15641227 0.85 TACR1 (0.40) TACR1TACR3POLBALDH1A1SMN1; SMN2
SCHEMBL9265932 0.85 TACR1 (0.40) TACR1TACR3POLBALDH1A1SMN1; SMN2
SCHEMBL2030628 0.85 TACR1 (0.40) TACR1TACR3POLBALDH1A1SMN1; SMN2
SCHEMBL15641159 0.83 TACR1 (0.36) TACR1TACR3POLBALDH1A1SMN1; SMN2
SCHEMBL2034922 0.81 TACR1 (0.37) TACR1TACR3POLBALDH1A1SMN1; SMN2
SCHEMBL5342247 0.81 TACR1 (0.44) TACR1TACR3POLBALDH1A1SMN1; SMN2
SCHEMBL15641421 0.79 KMT2A (0.41) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL16473222 0.77 TACR1 (0.41) TACR1TACR3POLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102639509-B Azole derivative, process for producing the same, intermediate of the same, and agricultural or horticultural agent KUREHA CORP. (JP) 2016-03-23 CN disclosed
US-9253983-B2 Triazole compound and use thereof KUREHA CORPORATION (JP) 2016-02-09 US disclosed
US-9162966-B2 Azole derivatives, methods for producing the same, intermediate thereof, agro-horticultural agents KUREHA CORPORATION (JP) 2015-10-20 US disclosed
US-9145351-B2 Azole derivatives, methods for producing the same, intermediate thereof, agro-horticultural agents KUREHA CORPORATION (JP) 2015-09-29 US disclosed
CN-104672092-A Azole derivatives, methods for producing the same, intermediate thereof, agro-horticultural agents KUREHA CORP 2015-06-03 CN disclosed
CN-104610235-A AZOLE DERIVATIVES, METHODS FOR PRODUCING THE SAME, INTERMEDIATE THEREOF, AGRO-HORTICULTURAL AGENTS KUREHA CORP 2015-05-13 CN disclosed
EP-2816042-A1 6-oxabicyclo[3,2,0]heptanes for use as intermediates Kureha Corporation (JP) 2014-12-24 EP disclosed
EP-2816041-A1 6-oxabicyclo[3,2,0]heptanes for use as intermediates Kureha Corporation (JP) 2014-12-24 EP disclosed
EP-2509958-B1 AZOLE DERIVATIVES, METHODS FOR PRODUCING THE SAME, INTERMEDIATES THEREOF, AGRO-HORTICULTURAL AGENTS KUREHA CORP (JP) 2014-09-17 EP disclosed
US-20140213794-A1 AZOLE DERIVATIVES, METHODS FOR PRODUCING THE SAME, INTERMEDIATE THEREOF, AGRO-HORTICULTURAL AGENTS KUREHA CORPORATION (JP) 2014-07-31 US disclosed
US-20140200352-A1 AZOLE DERIVATIVES, METHODS FOR PRODUCING THE SAME, INTERMEDIATE THEREOF, AGRO-HORTICULTURAL AGENTS KUREHA CORPORATION (JP) 2014-07-17 US disclosed
US-8710090-B2 Azole derivatives, methods for producing the same, intermediate thereof, agro-horticultural agents KUREHA CORPORATION (JP) 2014-04-29 US disclosed
US-20140113899-A1 AGRICULTURAL OR HORTICULTURAL CHEMICAL AGENT, COMPOSITION FOR CONTROLLING PLANT DISEASE, METHOD FOR CONTROLLING PLANT DISEASE, AND PRODUCT FOR CONTROLLING PLANT DISEASE KUREHA CORPORATION (JP) 2014-04-24 US disclosed
EP-2719281-A1 AGRICULTURAL OR HORTICULTURAL CHEMICAL AGENT, COMPOSITION FOR CONTROLLING PLANT DISEASE, METHOD FOR CONTROLLING PLANT DISEASE, AND PRODUCT FOR CONTROLLING PLANT DISEASE Kureha Corporation (JP) 2014-04-16 EP disclosed
EP-2509958-A1 AZOLE DERIVATIVES, METHODS FOR PRODUCING THE SAME, INTERMEDIATE THEREOF, AGRO-HORTICULTURAL AGENTS Kureha Corporation (JP) 2012-10-17 EP disclosed
US-20120232286-A1 AZOLE DERIVATIVES, METHODS FOR PRODUCING THE SAME, INTERMEDIATE THEREOF, AGRO-HORTICULTURAL AGENTS KUREHA CORPORATION (JP) 2012-09-13 US disclosed
WO-2011070771-A1 AZOLE DERIVATIVES, METHODS FOR PRODUCING THE SAME, INTERMEDIATE THEREOF, AGRO-HORTICULTURAL AGENTS KUREHA CORPORATION (JP) 2011-06-16 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-20140113899-A1 AGRICULTURAL OR HORTICULTURAL CHEMICAL AGENT, COMPOSITION FOR CONTROLLING PLANT DISEASE, METHOD FOR CONTROLLING PLANT DISEASE, AND PRODUCT FOR CONTROLLING PLANT DISEASE BROX, VHL, HRH4 TACR1 3450/4885TACR3 3016/4885POLB 4417/4885
US-20140200352-A1 AZOLE DERIVATIVES, METHODS FOR PRODUCING THE SAME, INTERMEDIATE THEREOF, AGRO-HORTICULTURAL AGENTS CBR3, CBR1, AKR1C4 TACR1 3482/4885TACR3 1748/4885POLB 4653/4885
US-20140213794-A1 AZOLE DERIVATIVES, METHODS FOR PRODUCING THE SAME, INTERMEDIATE THEREOF, AGRO-HORTICULTURAL AGENTS CBR3, CBR1, AKR1C4 TACR1 3482/4885TACR3 1748/4885POLB 4653/4885
US-20120232286-A1 AZOLE DERIVATIVES, METHODS FOR PRODUCING THE SAME, INTERMEDIATE THEREOF, AGRO-HORTICULTURAL AGENTS CBR3, CBR1, AKR1C4 TACR1 3482/4885TACR3 1748/4885POLB 4653/4885

“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.