SCHEMBL102537

SCHEMBL102537

Cc1ccc(OC(C)C)c[n+]1[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.42
ALDH1A3 P47895 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KMT2A Q03164 3/20 0.37
PARP10 Q53GL7 1/20 0.36
BRD4 O60885 1/20 0.36
BRPF1 P55201 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.34
GLA P06280 1/20 0.33
CNR2 P34972 1/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP9 P14780 2/20 0.33
MMP14 P50281 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32

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
SCHEMBL731371 0.77 CA1 (0.43) L3MBTL1ALDH1A1MMP2MMP9KDM4E
SCHEMBL7239633 0.71 BRD4 (0.39) CCR9ALDH1A3FFAR4KMT2APARP10
SCHEMBL125543 0.69 ALDH1A3 (0.64) ALDH1A3KMT2APARP10BRD4BRPF1
SCHEMBL9911367 0.68 GPR84 (0.41) ALDH1A3KMT2ABRD4BRPF1L3MBTL1
SCHEMBL8896606 0.68 POLB (0.36) KMT2APARP10ALDH1A1POLBMMP2
SCHEMBL12199632 0.67 L3MBTL1 (0.32) L3MBTL1
SCHEMBL104201 0.66 ALDH1A3 (0.54) ALDH1A3FFAR4KMT2APARP10ALDH1A1
SCHEMBL539461 0.66
SCHEMBL9716210 0.66 PTGS2 (0.41) L3MBTL1ALDH1A1
SCHEMBL3420844 0.66 MEN1 (0.49) KMT2AL3MBTL1ALDH1A1HPGDMAPT

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-102438991-B Carbinol compounds having a heterocyclic linker KOWA CO.,LTD. (JP) 2015-08-26 CN disclosed
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
CN-102438991-A Carbinol compounds having a heterocyclic linker KOWA CO 2012-05-02 CN disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
CN-102105452-A Substituted carbinol compound having cyclic linker KOWA CO 2011-06-22 CN disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 CCR9 79/4885ALDH1A3 4089/4885FFAR4 192/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR CCR9 115/4885ALDH1A3 3244/4885FFAR4 322/4885

“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.