SCHEMBL2030628

SCHEMBL2030628

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.40
TACR3 P29371 1/20 0.40
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
POLB P06746 3/20 0.37
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
OPRL1 P41146 1/20 0.33
MAPT P10636 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
SCHEMBL15641227 0.90 TACR1 (0.40) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL9265932 0.90 TACR1 (0.40) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL17589774 0.89 TACR1 (0.39) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL2035975 0.87 TACR1 (0.41) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL15641159 0.86 TACR1 (0.36) TACR1TACR3ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2034922 0.86 TACR1 (0.37) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL5342247 0.86 TACR1 (0.44) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL2040675 0.85 TACR1 (0.36) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL17994038 0.84 TACR1 (0.39) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL16473222 0.82 TACR1 (0.41) TACR1TACR3ALDH1A1SMN1; SMN2MEN1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2719693-B1 METHOD FOR MANUFACTURING OXETANE COMPOUND, METHOD FOR MANUFACTURING AZOLYLMETHYLCYCLOPENTANOL COMPOUND, AND INTERMEDIATE COMPOUND KUREHA CORP (JP) 2016-08-10 EP disclosed
EP-2719693-B1 METHOD FOR MANUFACTURING OXETANE COMPOUND, METHOD FOR MANUFACTURING AZOLYLMETHYLCYCLOPENTANOL COMPOUND, AND INTERMEDIATE COMPOUND KUREHA CORP (JP) 2016-08-10 EP disclosed
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-9278966-B2 Method for manufacturing oxetane compound, method for manufacturing azolylmethylcyclopentanol compound, and intermediate compound KUREHA CORPORATION (JP) 2016-03-08 US disclosed
US-9278966-B2 Method for manufacturing oxetane compound, method for manufacturing azolylmethylcyclopentanol compound, and intermediate compound KUREHA CORPORATION (JP) 2016-03-08 US disclosed
US-9278966-B2 Method for manufacturing oxetane compound, method for manufacturing azolylmethylcyclopentanol compound, and intermediate compound KUREHA CORPORATION (JP) 2016-03-08 US disclosed
US-9253983-B2 Triazole compound and use thereof KUREHA CORPORATION (JP) 2016-02-09 US 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
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
US-20140107372-A1 METHOD FOR PRODUCING CYCLOPENTANONE COMPOUND, AND INTERMEDIATE COMPOUND KUREHA CORPORATION (JP) 2014-04-17 US disclosed
US-20140107372-A1 METHOD FOR PRODUCING CYCLOPENTANONE COMPOUND, AND INTERMEDIATE COMPOUND KUREHA CORPORATION (JP) 2014-04-17 US disclosed
US-20140107372-A1 METHOD FOR PRODUCING CYCLOPENTANONE COMPOUND, AND INTERMEDIATE COMPOUND KUREHA CORPORATION (JP) 2014-04-17 US disclosed
EP-2719693-A1 METHOD FOR MANUFACTURING OXETANE COMPOUND, METHOD FOR MANUFACTURING AZOLYLMETHYLCYCLOPENTANOL COMPOUND, AND INTERMEDIATE COMPOUND Kureha Corporation (JP) 2014-04-16 EP 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-2719681-A1 METHOD FOR PRODUCING CYCLOPENTANONE COMPOUND, AND INTERMEDIATE COMPOUND 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 (3 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-20140107372-A1 METHOD FOR PRODUCING CYCLOPENTANONE COMPOUND, AND INTERMEDIATE COMPOUND CYP51A1, CYP17A1, POR TACR1 1648/4885TACR3 1201/4885ALDH1A1 946/4885
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.