SCHEMBL4075005

SCHEMBL4075005

CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 10/20 0.69
SHBG P04278 1/20 0.65
STS P08842 2/20 0.56
ESR1 P03372 6/20 0.55
ESR2 Q92731 4/20 0.55
CYP19A1 P11511 2/20 0.52
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
G6PD P11413 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
DAB2IP Q5VWQ8 1/20 0.50
ADCY10 Q96PN6 1/20 0.50
TDP1 Q9NUW8 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
SCHEMBL7064718 0.91 SHBG (0.65) HSD17B1SHBGSTSESR1ESR2
SCHEMBL3974913 0.89 SHBG (0.60) HSD17B1SHBGSTSESR1ESR2
SCHEMBL5143409 0.88 SHBG (0.74) HSD17B1SHBGSTSESR1ESR2
SCHEMBL9242671 0.87 SHBG (0.60) HSD17B1SHBGSTSESR1ESR2
SCHEMBL4083803 0.84 SHBG (0.70) HSD17B1SHBGSTSESR1ESR2
SCHEMBL10054959 0.84 SHBG (0.70) HSD17B1SHBGSTSESR1ESR2
SCHEMBL4082465 0.83 SHBG (0.68) HSD17B1SHBGSTSESR1ESR2
SCHEMBL10439769 0.83 HSD17B1 (0.70) HSD17B1SHBGSTSESR1ESR2
SCHEMBL5680019 0.83 HSD17B1 (0.65) HSD17B1STSESR1ESR2CYP19A1
SCHEMBL4826003 0.83 SHBG (0.61) HSD17B1SHBGSTSESR1ESR2

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-1608671-B1 OESTROGEN DERIVATIVES AS INHIBITORS OF STEROID SULPHATASE STERIX LTD (GB) 2010-01-06 EP disclosed
EP-1906969-A4 METHODS FOR TREATING AND DIAGNOSING COMPLICATIONS OF PREMATURE BIRTH CHILDRENS MEDICAL CENTER (US) 2009-07-29 EP 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-1906969-A2 METHODS FOR TREATING AND DIAGNOSING COMPLICATIONS OF PREMATURE BIRTH CHILDREN'S MEDICAL CENTER CORPORATION (US) 2008-04-09 EP disclosed
EP-1773349-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF PREECLAMPSIA CHILDREN'S MEDICAL CENTER CORPORATION (US) 2007-04-18 EP disclosed
WO-2007011926-A2 METHODS FOR TREATING AND DIAGNOSING COMPLICATIONS OF PREMATURE BIRTH CHILDREN'S MEDICAL CENTER CORPORATION (US) 2007-01-25 WO 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

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-20050192258-A1 Antiangiogenic agents VEGFA, PGF, TEK HSD17B1 220/4885SHBG 15/4885STS 1397/4885
US-20080160105-A1 Methods and Compositions For Treatment of Preeclampsia PGF, SHBG, HSD17B11 HSD17B1 24/4885SHBG 2/4885STS 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.