SCHEMBL2035975

SCHEMBL2035975

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.41
TACR3 P29371 1/20 0.41
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
POLB P06746 3/20 0.38
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SSTR1 P30872 1/20 0.34
SSTR4 P31391 1/20 0.34
MAPT P10636 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL17994038 0.94 TACR1 (0.39) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL16473222 0.90 TACR1 (0.41) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL15641445 0.90 TACR1 (0.41) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL2030628 0.87 TACR1 (0.40) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL5342247 0.85 TACR1 (0.44) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL2032281 0.84 TACR1 (0.38) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL16478929 0.83 TACR1 (0.37) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL9265932 0.82 TACR1 (0.40) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL15641227 0.82 TACR1 (0.40) TACR1TACR3ALDH1A1SMN1; SMN2MEN1
SCHEMBL17589774 0.81 TACR1 (0.39) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2816042-B1 6-oxabicyclo[3,2,0]heptanes for use as intermediates KUREHA CORP (JP) 2016-05-25 EP disclosed
US-20150315175-A1 PRODUCTION METHOD FOR CYCLOPENTANONE DERIVATIVE, INTERMEDIATE COMPOUND, AND PRODUCTION METHOD FOR INTERMEDIATE COMPOUND KUREHA CORPORATION (JP) 2015-11-05 US disclosed
US-20150315175-A1 PRODUCTION METHOD FOR CYCLOPENTANONE DERIVATIVE, INTERMEDIATE COMPOUND, AND PRODUCTION METHOD FOR INTERMEDIATE COMPOUND KUREHA CORPORATION (JP) 2015-11-05 US disclosed
US-20150315175-A1 PRODUCTION METHOD FOR CYCLOPENTANONE DERIVATIVE, INTERMEDIATE COMPOUND, AND PRODUCTION METHOD FOR INTERMEDIATE COMPOUND KUREHA CORPORATION (JP) 2015-11-05 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
EP-2927220-A1 METHOD FOR PRODUCING CYCLOPENTANONE DERIVATIVE, INTERMEDIATE COMPOUND, AND METHOD FOR PRODUCING INTERMEDIATE COMPOUND Kureha Corporation (JP) 2015-10-07 EP 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-2907814-A1 METHOD FOR PRODUCING CYCLOALKANOL DERIVATIVE, AND METHOD FOR PRODUCING AZOLE DERIVATIVE Kureha Corporation (JP) 2015-08-19 EP disclosed
US-20150218134-A1 METHOD FOR PRODUCING CYCLOALKANOL DERIVATIVE, AND METHOD FOR PRODUCING AZOLE DERIVATIVE KUREHA CORPORATION (JP) 2015-08-06 US disclosed
US-8975434-B2 Method for producing cyclopentanone compound, and intermediate compound KUREHA CORPORATION (JP) 2015-03-10 US 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-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-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 (6 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-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-20150218134-A1 METHOD FOR PRODUCING CYCLOALKANOL DERIVATIVE, AND METHOD FOR PRODUCING AZOLE DERIVATIVE CYP51A1, MSMO1, SQLE TACR1 1934/4885TACR3 535/4885ALDH1A1 2103/4885
US-20150315175-A1 PRODUCTION METHOD FOR CYCLOPENTANONE DERIVATIVE, INTERMEDIATE COMPOUND, AND PRODUCTION METHOD FOR INTERMEDIATE COMPOUND DHPS, COASY, FDPS TACR1 2115/4885TACR3 2084/4885ALDH1A1 1243/4885
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.