SCHEMBL161604

SCHEMBL161604

CC(C)OC(=O)c1cc([O])c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
CA12 O43570 6/20 0.43
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA7 P43166 6/20 0.43
CA9 Q16790 6/20 0.43
CA14 Q9ULX7 6/20 0.43
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
PDCD1 Q15116 1/20 0.36

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
SCHEMBL166187 0.83 ALDH1A1 (0.43) KDM4EL3MBTL1ALDH1A1HSD17B10BAZ2B
SCHEMBL162449 0.79 BAZ2B (0.56) KDM4ELMNAALDH1A1BAZ2BBAZ2A
SCHEMBL162809 0.77 ALDH1A1 (0.48) KDM4EL3MBTL1ALDH1A1BAZ2BBAZ2A
SCHEMBL161465 0.74 ADORA3 (0.43) KDM4EALDH1A1
SCHEMBL162674 0.74 GABRP (0.50) KDM4ELMNAL3MBTL1MMP2CA12
SCHEMBL162195 0.74 ALDH1A1 (0.38) LMNACA12CA1CA2CA9
SCHEMBL164496 0.71 ALDH1A1 (0.44) KDM4ELMNAMMP1MMP2MMP9
SCHEMBL9514507 0.71 TUBB4A (0.41) KDM4ELMNATP53L3MBTL1
SCHEMBL159942 0.69 GPR84 (0.48) LMNATP53L3MBTL1MMP1MMP2
SCHEMBL162193 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 KDM4E 2214/4885LMNA 462/4885TP53 2226/4885

“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.