SCHEMBL854815

SCHEMBL854815

COc1cc(CNc2ccc(C(C)C)cc2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.54
TTR P02766 1/20 0.54
JUN P05412 1/20 0.54
NR3C1 P04150 1/20 0.54
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
GAA P10253 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALOX15 P16050 2/20 0.52
POLB P06746 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALOX12 P18054 1/20 0.50

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
SCHEMBL11459370 0.86 FNTA (0.60) GAAKDM4EALDH1A1MAPTTDP1
SCHEMBL16057469 0.82 GAA (0.64) FOSTTRJUNNR3C1HSD17B1
SCHEMBL6479804 0.82 MEN1 (0.58) FOSTTRJUNGAAKDM4E
SCHEMBL9185985 0.81 TUBB4A (0.70) GAAKDM4EALDH1A1MAPTTDP1
Hydrochloric Acid SCHEMBL9185504 0.80 TUBB4A (0.68) GAAKDM4EALDH1A1MAPTTDP1
SCHEMBL13873884 0.80 CYP19A1 (0.55) GAAKDM4EALDH1A1MAPTTDP1
SCHEMBL854818 0.77 L3MBTL1 (0.64) GAAKDM4EALDH1A1MAPTTDP1
SCHEMBL14731737 0.76 GAA (0.80) FOSTTRJUNNR3C1HSD17B1
SCHEMBL1844973 0.76 MAPT (0.66) GAAKDM4EALDH1A1MAPTTDP1
SCHEMBL11861031 0.76 FOS (0.63) FOSTTRJUNNR3C1HSD17B1

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
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 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-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 FOS 1784/4885TTR 2247/4885JUN 1614/4885

“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.