SCHEMBL9934640

SCHEMBL9934640

Cc1[c]ccc(OCC(CO)CO)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.40
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
VDR P11473 4/20 0.35
CYP2C9 P11712 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31

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
SCHEMBL5097237 0.85 TSHR (0.54) TSHRMAPK1VDRKMT2ASMN1; SMN2
SCHEMBL9934821 0.80 APP (0.37) APPTSHRMAPK1VDRCYP2C9
SCHEMBL28391611 0.79 MGLL (0.33) KMT2ASMN1; SMN2
SCHEMBL12004363 0.79 APP (0.41) APPTSHRMAPK1VDRCYP2C9
SCHEMBL28008182 0.78 APP (0.35) APPTSHRMAPK1VDRKMT2A
SCHEMBL1225446 0.77 ALDH1A1 (0.44) TSHRKMT2ASMN1; SMN2
SCHEMBL9935226 0.76 NR1I2 (0.37) TSHRMAPK1
SCHEMBL160560 0.74 NQO1 (0.46) TSHRCYP2C9KMT2AHIF1A
SCHEMBL5659109 0.74 APP (0.46) APPTSHRMAPK1VDRCYP2C9
SCHEMBL11553173 0.73 ADRB2 (0.63) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
EP-2703394-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
EP-2703393-A1 CYCLIC AMIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-02-27 US disclosed
CN-103517898-A Novel 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARM CO LTD 2014-01-15 CN disclosed
US-8629102-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-01-14 US disclosed
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-15 US disclosed
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US 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
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP 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 (9 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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 APP 1973/4885TSHR 394/4885MAPK1 654/4885
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 APP 1872/4885TSHR 387/4885MAPK1 732/4885
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 APP 3235/4885TSHR 516/4885MAPK1 432/4885
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 APP 3235/4885TSHR 516/4885MAPK1 432/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 APP 1306/4885TSHR 421/4885MAPK1 667/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 APP 2605/4885TSHR 409/4885MAPK1 586/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 APP 3215/4885TSHR 446/4885MAPK1 713/4885
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE GPR119, GPR27, GPR65 APP 3163/4885TSHR 527/4885MAPK1 445/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 APP 1384/4885TSHR 431/4885MAPK1 583/4885

“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.