SCHEMBL542708

SCHEMBL542708

CC(=O)OC(C)CCCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MMP3 P08254 5/20 0.43
MMP1 P03956 4/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP8 P22894 4/20 0.42
MMP9 P14780 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
TEAD3 Q99594 1/20 0.40
CYP2C19 P33261 1/20 0.40
NAAA Q02083 1/20 0.40

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
SCHEMBL7021705 0.96 MMP3 (0.46) ALDH1A1MMP3MMP1HTTSMN1; SMN2
SCHEMBL7590106 0.96 MMP3 (0.46) ALDH1A1MMP3MMP1HTTSMN1; SMN2
SCHEMBL20581478 0.91 ALDH1A1 (0.50) ALDH1A1HTTSMN1; SMN2TSHRCYP2C19
SCHEMBL20581479 0.91 ALDH1A1 (0.50) ALDH1A1HTTSMN1; SMN2TSHRCYP2C19
SCHEMBL6682726 0.81 NAAA (0.50) ALDH1A1SMN1; SMN2TSHRCYP2C19NAAA
SCHEMBL14501881 0.81 ALDH1A1 (0.53) ALDH1A1MMP9TSHR
SCHEMBL22087968 0.80 MMP3 (0.46) ALDH1A1MMP3MMP1HTTSMN1; SMN2
SCHEMBL22087975 0.78 TSHR (0.46) ALDH1A1MMP3MMP1HTTSMN1; SMN2
SCHEMBL1532473 0.78 MMP12 (0.54) ALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL542039 0.78 TSHR (0.48) ALDH1A1MMP3MMP1HTTSMN1; SMN2

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
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 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-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 ALDH1A1 3263/4885MMP3 568/4885MMP1 1008/4885

“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.