SCHEMBL3315101

SCHEMBL3315101

COc1cc(CC(CO)CO)ccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
CYP3A4 P08684 4/20 0.51
MMP1 P03956 1/20 0.51
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FOS P01100 1/20 0.46
TTR P02766 1/20 0.46
JUN P05412 1/20 0.46
NR3C1 P04150 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
LDHA P00338 1/20 0.45
GAA P10253 1/20 0.43
ALOX15 P16050 3/20 0.43
ALOX12 P18054 3/20 0.43
CYP19A1 P11511 1/20 0.40
MAPK1 P28482 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HTT P42858 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
SCHEMBL4096678 0.80 ALDH1A1 (0.71) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL31045431 0.80 ALDH1A1 (0.71) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL8868058 0.77 ALDH1A1 (0.67) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL345865 0.77 LDHA (0.57) ALDH1A1CYP3A4MMP1FOSTTR
SCHEMBL1094491 0.76 LDHA (0.56) ALDH1A1HSD17B10TDP1LDHAALOX15
SCHEMBL1094489 0.76 LDHA (0.56) ALDH1A1HSD17B10TDP1LDHAALOX15
SCHEMBL9516946 0.76 ALDH1A1 (0.77) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL30541678 0.76 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL273470 0.76 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL19921255 0.75 ALDH1A1 (0.62) ALDH1A1CYP3A4TSHRHSD17B10TDP1

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
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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 (6 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 4333/4885CYP3A4 4198/4885MMP1 3931/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 3674/4885CYP3A4 3280/4885MMP1 4568/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 4333/4885CYP3A4 4198/4885MMP1 3931/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4184/4885CYP3A4 4148/4885MMP1 3923/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS ALDH1A1 649/4885CYP3A4 49/4885MMP1 4865/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4184/4885CYP3A4 4148/4885MMP1 3923/4885

“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.