SCHEMBL2854643

SCHEMBL2854643

CC1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@H](O)CC[C@H]3[C@H]12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.63
ESR2 Q92731 8/20 0.63
LMNA P02545 4/20 0.63
HSD17B10 Q99714 3/20 0.63
ESRRA P11474 3/20 0.63
TSHR P16473 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
NR3C1 P04150 2/20 0.63
PGR P06401 2/20 0.63
CYP3A4 P08684 2/20 0.63
ESRRB O95718 2/20 0.63
CYP2C9 P11712 1/20 0.63
HIF1A Q16665 1/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
SLC22A1 O15245 1/20 0.63
AKR1B10 O60218 1/20 0.63
SLC22A3 O75751 1/20 0.63

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
SCHEMBL2854638 1.00 ESR1 (0.63) ESR1ESR2LMNAHSD17B10ESRRA
SCHEMBL8505904 1.00 ESR1 (0.63) ESR1ESR2LMNAHSD17B10ESRRA
SCHEMBL806967 1.00 ESR1 (0.63) ESR1ESR2LMNAHSD17B10ESRRA
SCHEMBL24103220 1.00 ESR1 (0.63) ESR1ESR2LMNAHSD17B10ESRRA
SCHEMBL16485139 1.00 ESR1 (0.63) ESR1ESR2LMNAHSD17B10ESRRA
SCHEMBL24103217 1.00 ESR1 (0.63) ESR1ESR2LMNAHSD17B10ESRRA
SCHEMBL14569768 1.00 ESR1 (0.63) ESR1ESR2LMNAHSD17B10ESRRA
SCHEMBL24583080 1.00 ESR1 (0.63) ESR1ESR2LMNAHSD17B10ESRRA
SCHEMBL13301006 0.89 ESR1 (0.50) ESR1ESR2LMNAHSD17B10ESRRA
SCHEMBL14540439 0.89 ESR1 (0.65) ESR1ESR2LMNAHSD17B10ESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240151679-A1 ELECTROCHEMICAL SENSOR FOR PHENOLIC ANALYTES EYE3CONCEPTS INC. (CA) 2024-05-09 US disclosed
US-20100204497-A1 Process For The Preparation of 7 alpha-Methylsteroids N.V. ORGANON 2010-08-12 US disclosed
US-7772218-B2 Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one SRI INTERNATIONAL (US) 2010-08-10 US disclosed
EP-1470151-B1 PROCESS FOR THE PREPARATION OF 7-ALPHA-METHYLSTEROIDS ORGANON NV (NL) 2009-12-30 EP disclosed
US-20050090476-A1 Process for the preparation of 7alpha-methylsteroids MERCK SHARP & DOHME B.V. (NL) 2005-04-28 US disclosed
US-6852710-B2 2-alkoxyestradiol analogs with antiproliferative and antimitotic activity SOUTHWEST FOUNDATION FOR BIOMEDICAL RESEARCH (US) 2005-02-08 US disclosed
US-20050009801-A1 Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one PETERS RICHARD H (US) 2005-01-13 US disclosed
US-6784170-B2 TREATMENT OF PROSTATE DISORDERS SUCH AS PROSTATIC CANCER SRI INTERNATIONAL 2004-08-31 US disclosed
US-20030229061-A1 Novel 2-alkoxyestradiol analogs with antiproliferative and antimitotic activity SOUTHWEST FOUNDATION FOR BIOMEDICAL RESEARCH 2003-12-11 US disclosed
US-6593321-B2 Compounds to inhibit undesired cell proliferation and tumor growth. Additionally, methods are disclosed of treating diseases associated with undesired angiogenesis and undesired proliferation, and methods of treating infectious disease SOUTHWEST FOUNDATION FOR BIOMEDICAL RESEARCH 2003-07-15 US disclosed
US-20030096799-A1 Novel 2-alkoxyestradiol analogs with antiproliferative and antimitotic activity SOUTHWEST FOUNDATION FOR BIOMEDICAL RESEARCH 2003-05-22 US disclosed
WO-2002100877-A1 NOVEL 2-ALKOXYESTRADIOL ANALOGS WITH ANTIPROLIFERATIVE AND ANTIMITOTIC ACTIVITY SOUTHWEST FOUNDATION FOR BIOMEDICAL RESEARCH (US) 2002-12-19 WO disclosed
WO-2001058919-A9 SYNTHESIS OF ANTI-ESTROGENIC AND OTHER THERAPEUTIC STEROIDS FROM 21-HYDROXY-19-NORPREGNA-4-EN-3-ONE STANFORD RES INST INT (US) 2002-01-03 WO disclosed
US-20010039269-A1 Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one SRI INTERNATIONAL 2001-11-08 US disclosed
WO-2001058919-A2 SYNTHESIS OF ANTI-ESTROGENIC AND OTHER THERAPEUTIC STEROIDS FROM 21-HYDROXY-19-NORPREGNA-4-EN-3-ONE SRI INTERNATIONAL (US) 2001-08-16 WO disclosed
EP-0719276-B1 ORALLY ACTIVE DERIVATIVES OF 1,3,5(10)-ESTRATRIENE US HEALTH (US) 1997-11-26 EP disclosed
US-5554603-A 11,17-DINITRATES; USE TO ACHIEVE ESTROGENIC EFFECT IN FEMALE MAMMALS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-09-10 US disclosed
EP-0719276-A1 ORALLY ACTIVE DERIVATIVES OF 1,3,5(10)-ESTRATRIENE THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-07-03 EP disclosed
WO-1995007925-A1 ORALLY ACTIVE DERIVATIVES OF 1,3,5(10)-ESTRATRIENE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-03-23 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 (6 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-20010039269-A1 Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one NR5A1, HSD17B11, CYP17A1 ESR1 14/4885ESR2 15/4885LMNA 3199/4885
US-20050090476-A1 Process for the preparation of 7alpha-methylsteroids CYP17A1, CYP21A2, HSD17B7 ESR1 670/4885ESR2 505/4885LMNA 2326/4885
US-20050009801-A1 Synthesis of anti-estrogenic and other therapeutic steroids from 21-hydroxy-19-norpregna-4-en-3-one CYP17A1, NR5A1, HSD17B11 ESR1 13/4885ESR2 20/4885LMNA 3276/4885
US-20030096799-A1 Novel 2-alkoxyestradiol analogs with antiproliferative and antimitotic activity HSD17B11, CDC42, TUBB1 ESR1 200/4885ESR2 36/4885LMNA 2996/4885
US-20100204497-A1 Process For The Preparation of 7 alpha-Methylsteroids CYP17A1, CYP21A2, HSD17B7 ESR1 665/4885ESR2 465/4885LMNA 2421/4885
US-20030229061-A1 Novel 2-alkoxyestradiol analogs with antiproliferative and antimitotic activity HSD17B11, CDC42, TUBB1 ESR1 200/4885ESR2 36/4885LMNA 2996/4885

“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.