SCHEMBL17547634

SCHEMBL17547634

COc1ccc(CC2COc3cc(C)c(O)c(O)c3C2=O)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.64
MAPT P10636 3/20 0.64
HPGD P15428 2/20 0.64
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAP2K1 Q02750 1/20 0.42
SHBG P04278 3/20 0.42

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
SCHEMBL16264011 0.91 CYP3A4 (0.67) CYP3A4MAPTHPGDMEN1KMT2A
SCHEMBL16246493 0.91 CYP3A4 (0.67) CYP3A4MAPTHPGDMEN1KMT2A
SCHEMBL17547635 0.89 CYP3A4 (0.64) CYP3A4MAPTHPGDMEN1KMT2A
SCHEMBL17547639 0.88 CYP3A4 (0.66) CYP3A4MAPTHPGDMEN1KMT2A
SCHEMBL3355849 0.88 CYP3A4 (0.66) CYP3A4MAPTHPGDMEN1KMT2A
SCHEMBL17547633 0.88 CYP3A4 (0.47) CYP3A4MAPTHPGDMEN1KMT2A
SCHEMBL30368835 0.85 CYP3A4 (0.67) CYP3A4MAPTHPGDMEN1KMT2A
SCHEMBL17536649 0.85 CYP3A4 (0.67) CYP3A4MAPTHPGDMEN1KMT2A
SCHEMBL16246508 0.85 CYP3A4 (0.67) CYP3A4MAPTHPGDMEN1KMT2A
SCHEMBL17547654 0.84 CYP3A4 (0.75) CYP3A4MAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180177758-A1 COMPOUNDS FOR TREATMENT OF ANGIOGENESIS-MEDIATED DISEASES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-28 US disclosed
US-20160060241-A1 COMPOUNDS FOR TREATMENT OF ANGIOGENESIS-MEDIATED DISEASES GACHON UNIVERSITY OF INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-03-03 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-20180177758-A1 COMPOUNDS FOR TREATMENT OF ANGIOGENESIS-MEDIATED DISEASES KDR, TEK, VEGFA CYP3A4 3509/4885MAPT 3088/4885HPGD 32/4885
US-20160060241-A1 COMPOUNDS FOR TREATMENT OF ANGIOGENESIS-MEDIATED DISEASES KDR, TEK, VEGFA CYP3A4 3509/4885MAPT 3088/4885HPGD 32/4885

“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.