SCHEMBL6052983

SCHEMBL6052983

CC1CCC(Cc2ccc(Cl)cc2)(C(=O)O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
SSTR1 P30872 1/20 0.40
SSTR4 P31391 1/20 0.40
LMNA P02545 1/20 0.40
EPHX1 P07099 2/20 0.38
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CTBP2 P56545 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD11B1 P28845 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
SCHEMBL2033491 0.85 POLB (0.43) POLBSSTR1SSTR4LMNAEPHX1
SCHEMBL5348003 0.83 POLB (0.55) POLBLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL8830804 0.82 POLB (0.41) POLBSSTR1SSTR4SMN1; SMN2MEN1
SCHEMBL14592561 0.77 SSTR1 (0.41) POLBSSTR1SSTR4LMNAHPGD
SCHEMBL6052833 0.74 ALDH1A1 (0.37) POLBSSTR1SSTR4LMNAALDH1A1
SCHEMBL17483907 0.74 TACR1 (0.50) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8830753 0.73 TACR1 (0.41) POLBHPGDALDH1A1NPC1RAB9A
SCHEMBL8830783 0.73 TACR1 (0.46) POLBEPHX1HPGDALDH1A1SMN1; SMN2
SCHEMBL27936295 0.72 MEN1 (0.38) POLBLMNAEPHX1ALDH1A1MEN1
SCHEMBL15641282 0.72 LMNA (0.35) POLBSSTR1SSTR4LMNAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113429273-A Synthesis method of metconazole intermediate 江苏省农用激素工程技术研究中心有限公司 2021-09-24 CN disclosed
EP-2719695-B1 AZOLE DERIVATIVE, METHOD FOR PRODUCING AZOLE DERIVATIVE, AND INTERMEDIATE COMPOUND KUREHA CORP (JP) 2016-05-18 EP disclosed
US-9241488-B2 Azole derivative, method for producing azole derivative, and intermediate compound KUREHA CORPORATION (JP) 2016-01-26 US disclosed
US-20140113815-A1 AZOLE DERIVATIVE, METHOD FOR PRODUCING AZOLE DERIVATIVE, AND INTERMEDIATE COMPOUND KUREHA CORPORATION (JP) 2014-04-24 US disclosed
EP-2719695-A1 AZOLE DERIVATIVE, METHOD FOR PRODUCING AZOLE DERIVATIVE, AND INTERMEDIATE COMPOUND Kureha Corporation (JP) 2014-04-16 EP disclosed
EP-1308432-B1 PROCESS FOR THE PREPARATION OF 5- (4-CHLOROPHENYL)-METHYL|-2,2-DIMETHYLCYCLOPENTANONE KUREHA CORP (JP) 2006-10-18 EP disclosed
CN-1196665-C Preparation method of 5- [ (4-chlorphenyl) methyl ] -2, 2-dimethyl cyclopentanone KUREHA CHEMICAL IND CO LTD (JP) 2005-04-13 CN disclosed
EP-1308432-A4 PROCESS FOR THE PREPARATION OF 5- (4-CHLOROPHENYL)-METHYL]-2,2-DIMETHYLCYCLOPENTANONE KUREHA CHEMICAL IND CO LTD (JP) 2004-05-12 EP disclosed
WO-2001012580-A1 PROCESS FOR THE PREPARATION OF 5-[(4-CHLOROPHENYL)-METHYL]-2,2-DIMETHYLCYCLOPENTANONE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-02-22 WO disclosed
EP-0731083-A1 Process for the producing of alkylcyclopentanone derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-09-11 EP 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 (1 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-20140113815-A1 AZOLE DERIVATIVE, METHOD FOR PRODUCING AZOLE DERIVATIVE, AND INTERMEDIATE COMPOUND CBR3, CYP4F3, CYP4F11 POLB 4241/4885SSTR1 1267/4885SSTR4 622/4885

“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.