SCHEMBL4782870

SCHEMBL4782870

COc1cc2c(cc1C(N)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC)CC[C@@H]12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.65
CA9 Q16790 5/20 0.65
STS P08842 8/20 0.62
ESR1 P03372 2/20 0.58
CYP3A4 P08684 4/20 0.58
CYP1A2 P05177 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP1A1 P04798 2/20 0.58
CYP1B1 Q16678 2/20 0.58
MEN1 O00255 2/20 0.58
LMNA P02545 2/20 0.58
KMT2A Q03164 2/20 0.58
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
CYP2C19 P33261 1/20 0.58
THPO P40225 1/20 0.58
GMNN O75496 1/20 0.58
SHBG P04278 1/20 0.58

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
SCHEMBL14599349 1.00 CA2 (0.65) CA2CA9STSESR1CYP3A4
SCHEMBL14305061 1.00 CA2 (0.65) CA2CA9STSESR1CYP3A4
SCHEMBL2610034 0.90 CA2 (0.81) CA2CA9STSESR1CYP3A4
SCHEMBL2617358 0.90 CA2 (0.57) CA2CA9STSESR1CYP3A4
SCHEMBL2610033 0.90 LMNA (0.72) CA2CA9STSESR1CYP3A4
SCHEMBL2610030 0.90 CA2 (0.60) CA2CA9STSESR1CYP3A4
SCHEMBL14599350 0.84 CYP1A2 (0.80) CA2CA9STSESR1CYP3A4
SCHEMBL2112245 0.82 CYP19A1 (0.59) CA2CA9STSESR1CYP3A4
SCHEMBL2111077 0.82 SHBG (0.56) CA2CA9STSESR1CYP3A4
SCHEMBL2610029 0.82 CYP19A1 (0.59) CA2CA9STSESR1CYP3A4

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
WO-2008011005-A2 ANTIANGIOGENIC AGENTS ENTREMED, INC. (US) 2008-01-24 WO disclosed
US-20070004689-A1 Antiangiogenic agents ENTREMED, INC. 2007-01-04 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 (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-20070004689-A1 Antiangiogenic agents VEGFA, FLT4, HDGF CA2 985/4885CA9 381/4885STS 471/4885

“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.