SCHEMBL9935752

SCHEMBL9935752

CC(C)(O)CCOc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.53
NR5A1 Q13285 1/20 0.53
HRH3 Q9Y5N1 1/20 0.44
DRD4 P21917 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
ESR1 P03372 2/20 0.42
CYP19A1 P11511 2/20 0.42
ESR2 Q92731 2/20 0.42
CYP1A2 P05177 2/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL6255661 0.92 HRH3 (0.49) LTA4HNR5A1HRH3CYP3A4
SCHEMBL11988222 0.86 LTA4H (0.55) LTA4HNR5A1DRD4DRD2DRD3
SCHEMBL15782889 0.84 L3MBTL1 (0.52) HRH3DRD4DRD2DRD3
SCHEMBL16637914 0.82 ALDH1A1 (0.54) HRH3DRD4DRD2DRD3LMNA
SCHEMBL18034737 0.82 TDP1 (0.52) LTA4HHRH3ESR1CYP19A1ESR2
SCHEMBL9935748 0.82 HRH3 (0.43) HRH3CYP3A4
SCHEMBL9592060 0.82 SMN1; SMN2 (0.53) HRH3LMNACYP3A4
SCHEMBL8095513 0.82 KCNA3 (0.54) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10800229 0.81 LTA4H (0.50) LTA4HNR5A1DRD4DRD2DRD3
SCHEMBL23574899 0.80 LTA4H (0.58) LTA4HNR5A1DRD4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104710381-A Novel 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARM CO LTD 2015-06-17 CN disclosed
CN-102712610-B Novel 3-hydroxy-5-arylisothiazole derivatives MOCHIDA PHARM CO LTD 2015-03-04 CN disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
CN-102712610-A Novel 3-hydroxy-5-arylisothiazole derivatives MOCHIDA PHARM CO LTD 2012-10-03 CN disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US 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 (2 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-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 LTA4H 1269/4885NR5A1 26/4885HRH3 427/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 LTA4H 1659/4885NR5A1 23/4885HRH3 395/4885

“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.