SCHEMBL548134

SCHEMBL548134

Cc1cc(O)cc2c1[C@H]1CC[C@]3(C)[C@H](O)CC[C@H]3[C@@H]1CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.67
HSD17B10 Q99714 5/20 0.67
LMNA P02545 4/20 0.67
ESR2 Q92731 4/20 0.67
TSHR P16473 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
MAPT P10636 3/20 0.67
SHBG P04278 3/20 0.67
CYP1A2 P05177 3/20 0.67
CYP3A4 P08684 3/20 0.67
CYP1B1 Q16678 3/20 0.67
CYP2C19 P33261 2/20 0.67
BLM P54132 2/20 0.67
PMP22 Q01453 2/20 0.67
CYP2C9 P11712 1/20 0.67
HIF1A Q16665 1/20 0.67
SLC22A1 O15245 1/20 0.67
AKR1B10 O60218 1/20 0.67
SLC22A3 O75751 1/20 0.67

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
SCHEMBL3868012 1.00 ESR1 (0.67) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL11097284 1.00 ESR1 (0.67) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL11874816 0.89 ESR1 (0.68) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL5460095 0.89 ESR1 (0.68) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL711024 0.89 ESR1 (0.68) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL4749408 0.88 ESR1 (0.67) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL10794417 0.88 ESR1 (0.67) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL10794423 0.88 ESR1 (0.67) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL10792759 0.87 ESR1 (0.65) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL10792763 0.87 ESR1 (0.65) ESR1HSD17B10LMNAESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147640-A2 HORMONE REPLACEMENT THERAPY UNIVERSITY OF KANSAS MEDICAL CENTER (US) 2008-12-04 WO claimed
US-20080293683-A1 Hormone Replacement Therapy UNIVERSITY OF KANSAS MEDICAL CENTER (US) 2008-11-27 US claimed
EP-0044105-B1 NEW 8-ALPHA-OESTRA-1,3,5(10)-TRIENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS AKZO N.V. (NL) 1984-10-03 EP claimed
US-8110565-B2 Of the ACE inhibitor ramipril; controlling the melting point by mixing with the free acid with the ramipril ethyl or methyl ester prodrug and a pressure sensitive adhesive carrier; improved pharmacokinetics; sustained release NOVEN PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8025898-B2 Of the ACE inhibitor ramipril by mixing with the ramipril (m)ethyl ester prodrug and a pressure sensitive adhesive carrier; improved pharmacokinetics; sustained release NOVEN PHARMACEUTICALS, INC. (US) 2011-09-27 US disclosed
WO-2011000116-A1 USE OF STEROIDAL COMPOUNDS FOR THE CONVERSION OF NORMAL B LYMPHOCYTES INTO IMMUNOGLOBULIN-SECRETING PLASMA CELLS Héma-Québec (CA) 2011-01-06 WO disclosed
WO-2008147640-A2 HORMONE REPLACEMENT THERAPY UNIVERSITY OF KANSAS MEDICAL CENTER (US) 2008-12-04 WO disclosed
US-20080293683-A1 Hormone Replacement Therapy UNIVERSITY OF KANSAS MEDICAL CENTER (US) 2008-11-27 US disclosed
US-20080167280-A1 Enhanced drug delivery in transdermal systems NOVEN PHARMACEUTICALS, INC. 2008-07-10 US disclosed
US-20080167365-A1 Enhanced drug delivery in transdermal systems NOVEN PHARMACEUTICALS, INC. 2008-07-10 US disclosed
US-20070275935-A1 Estratriene Derivatives CRYPTOPHARMA PTY LTD (AU) 2007-11-29 US disclosed
CN-100345862-C Steroid compounds preparation method ZHEJIANG MEDICINE CO LTD (CN) 2007-10-31 CN disclosed
CN-1867577-A Estratriene derivatives CRYPTOPHARMA PTY LTD (AU) 2006-11-22 CN disclosed
EP-1625143-A1 ESTRATRIENE DERIVATIVES Cryptopharma Pty Ltd (AU) 2006-02-15 EP disclosed
CN-1666993-A Steroid compounds preparation method ZHEJIANG MEDICINE CO LTD (CN) 2005-09-14 CN disclosed
WO-2004101595-A1 ESTRATRIENE DERIVATIVES CRYPTOPHARMA PTY LTD (AU) 2004-11-25 WO disclosed
EP-0044105-B1 NEW 8-ALPHA-OESTRA-1,3,5(10)-TRIENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS AKZO N.V. (NL) 1984-10-03 EP disclosed
US-3939186-A Process for producing ethers of steroids MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1976-02-17 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-20080293683-A1 Hormone Replacement Therapy ESR2, SHBG, ESRRG ESR1 4/4885HSD17B10 215/4885LMNA 4487/4885
US-20070275935-A1 Estratriene Derivatives ESR2, ESRRB, NR3C2 ESR1 5/4885HSD17B10 219/4885LMNA 3831/4885

“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.