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SCHEMBL2040672

SCHEMBL2040672

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.38
▸ TACR3 P29371 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ OPRL1 P41146 2/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MME P08473 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ SSTR1 P30872 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL5342247 0.84 TACR1 (0.44) TACR1TACR3ALDH1A1SMN1; SMN2POLB
SCHEMBL9265932 0.83 TACR1 (0.40) TACR1TACR3ALDH1A1SMN1; SMN2POLB
SCHEMBL16473222 0.83 TACR1 (0.41) TACR1TACR3ALDH1A1SMN1; SMN2POLB
SCHEMBL2030628 0.81 TACR1 (0.40) TACR1TACR3ALDH1A1SMN1; SMN2POLB
SCHEMBL15641227 0.81 TACR1 (0.40) TACR1TACR3ALDH1A1SMN1; SMN2POLB
SCHEMBL2035975 0.80 TACR1 (0.41) TACR1TACR3ALDH1A1SMN1; SMN2POLB
SCHEMBL15641445 0.80 TACR1 (0.41) TACR1TACR3ALDH1A1SMN1; SMN2POLB
SCHEMBL17589774 0.80 TACR1 (0.39) TACR1TACR3ALDH1A1SMN1; SMN2POLB
SCHEMBL17994038 0.80 TACR1 (0.39) TACR1TACR3ALDH1A1SMN1; SMN2POLB
SCHEMBL15641130 0.77 TACR1 (0.37) TACR1TACR3ALDH1A1SMN1; SMN2POLB

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-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
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 3016/4885ALDH1A1 1730/4885
US-20140200352-A1 AZOLE DERIVATIVES, METHODS FOR PRODUCING THE SAME, INTERMEDIATE THEREOF, AGRO-HORTICULTURAL AGENTS CBR3, CBR1, AKR1C4 TACR1 3482/4885TACR3 1748/4885ALDH1A1 2025/4885
US-20140213794-A1 AZOLE DERIVATIVES, METHODS FOR PRODUCING THE SAME, INTERMEDIATE THEREOF, AGRO-HORTICULTURAL AGENTS CBR3, CBR1, AKR1C4 TACR1 3482/4885TACR3 1748/4885ALDH1A1 2025/4885
US-20120232286-A1 AZOLE DERIVATIVES, METHODS FOR PRODUCING THE SAME, INTERMEDIATE THEREOF, AGRO-HORTICULTURAL AGENTS CBR3, CBR1, AKR1C4 TACR1 3482/4885TACR3 1748/4885ALDH1A1 2025/4885

“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.