SCHEMBL4082465

SCHEMBL4082465

C[C@@]12CCC[C@H]1[C@@H]1CCc3cc(O)c(N)cc3[C@H]1CC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.68
CYP19A1 P11511 9/20 0.66
STS P08842 3/20 0.58
ESR1 P03372 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
G6PD P11413 1/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
DAB2IP Q5VWQ8 1/20 0.52
ESR2 Q92731 1/20 0.52
ADCY10 Q96PN6 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSD17B1 P14061 8/20 0.52

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
SCHEMBL5143409 0.90 SHBG (0.74) SHBGCYP19A1STSESR1KDM4E
SCHEMBL4083803 0.86 SHBG (0.70) SHBGCYP19A1STSESR1KDM4E
SCHEMBL10054959 0.86 SHBG (0.70) SHBGCYP19A1STSESR1KDM4E
SCHEMBL10439769 0.85 HSD17B1 (0.70) SHBGCYP19A1STSESR1KDM4E
SCHEMBL14209882 0.84 SHBG (0.62) SHBGCYP19A1STSESR1KDM4E
SCHEMBL6409438 0.83 SHBG (0.65) SHBGCYP19A1STSESR1KDM4E
SCHEMBL7064718 0.83 SHBG (0.65) SHBGCYP19A1STSESR1KDM4E
SCHEMBL4078960 0.83 SHBG (0.65) SHBGCYP19A1STSESR1KDM4E
SCHEMBL4075005 0.83 HSD17B1 (0.69) SHBGCYP19A1STSESR1KDM4E
SCHEMBL14252885 0.83 ESR1 (0.71) SHBGCYP19A1STSESR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192258-A1 Antiangiogenic agents AGOSTON GREGORY E (US) 2005-09-01 US claimed
US-8273383-B2 Administration of 2-methoxyestradiol or it derivatives such as colchicine or combretastatin A-4; for treating and/or preventing a pregnancy related disease; safer and more effective CHILDREN'S MEDICAL CENTER CORPORATION (US) 2012-09-25 US disclosed
EP-1773349-A4 METHODS AND COMPOSITIONS FOR TREATMENT OF PREECLAMPSIA CHILDRENS MEDICAL CENTER (US) 2009-07-29 EP disclosed
US-20080160105-A1 Methods and Compositions For Treatment of Preeclampsia CHILDREN'S MEDICAL CENTER CORPORATION (US) 2008-07-03 US disclosed
EP-1773349-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF PREECLAMPSIA CHILDREN'S MEDICAL CENTER CORPORATION (US) 2007-04-18 EP disclosed
US-7135581-B2 Antiangiogenic agents ENTREMED, INC. (US) 2006-11-14 US disclosed
WO-2005110462-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF PREECLAMPSIA CHILDREN'S MEDICAL CENTER CORPORATION (US) 2005-11-24 WO disclosed
US-20050192258-A1 Antiangiogenic agents AGOSTON GREGORY E (US) 2005-09-01 US disclosed
EP-1343803-A2 2-SUBSTITUTED ESTROGENS AS ANTIANGIOGENIC AGENTS EntreMed, Inc. (US) 2003-09-17 EP disclosed
WO-2003073985-A2 NEW METHODS OF USING ANTIANGIOGENIC AGENTS ENTREMED, INC. (US) 2003-09-12 WO disclosed
US-20020082433-A1 Antiangiogenic agents ENTREMED, INC. 2002-06-27 US disclosed
WO-2002042319-A2 2-SUBSTITUTED ESTROGENS AS ANTIANGIOGENIC AGENTS ENTREMED, INC. (US) 2002-05-30 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 (3 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-20050192258-A1 Antiangiogenic agents VEGFA, PGF, TEK SHBG 15/4885CYP19A1 21/4885STS 1397/4885
US-20020082433-A1 Antiangiogenic agents VEGFA, PGF, TEK SHBG 14/4885CYP19A1 12/4885STS 1317/4885
US-20080160105-A1 Methods and Compositions For Treatment of Preeclampsia PGF, SHBG, HSD17B11 SHBG 2/4885CYP19A1 26/4885STS 2872/4885

“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.