SCHEMBL544802

SCHEMBL544802

CC=C1CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.72
HSD17B1 P14061 3/20 0.72
MAPT P10636 2/20 0.72
RECQL P46063 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
ESR1 P03372 5/20 0.67
HSD17B10 Q99714 2/20 0.61
STS P08842 6/20 0.59
ABCC4 O15439 1/20 0.58
CYP2C9 P11712 1/20 0.58
ABCC1 P33527 1/20 0.58
SLCO1B1 Q9Y6L6 1/20 0.58
CYP3A4 P08684 4/20 0.57
CYP1A2 P05177 2/20 0.57
HIF1A Q16665 2/20 0.57
PGR P06401 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
CYP2C19 P33261 1/20 0.57
NR3C1 P04150 1/20 0.57

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
SCHEMBL6466708 1.00 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL544801 1.00 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL5679557 1.00 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL12473458 1.00 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL16140032 1.00 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9643150 0.90 LMNA (0.71) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9643950 0.90 LMNA (0.71) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11753160 0.88 LMNA (0.71) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11753152 0.88 LMNA (0.71) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL17817040 0.86 ESR1 (0.66) LMNAHSD17B1MAPTRECQLSMN1; SMN2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053846-B Method for preparing ulipristal bisketal acetate 台州仙琚药业有限公司 2020-01-07 CN disclosed
EP-3052513-B1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ULIPRISTAL ACETATE AND ITS 4'-ACETYL ANALOGUE RICHTER GEDEON NYRT (HU) 2018-12-05 EP disclosed
EP-2774933-B1 ULIPRISTAL ACETATE PREPARATION METHOD AND INTERMEDIATE THEREOF UTOPHARM (SHANGHAI) CO LTD (CN) 2018-02-21 EP disclosed
US-9676814-B2 Industrial process for the synthesis of ulipristal acetate and its 4′-acetyl analogue RICHTER GEDEON NYRT. (HU) 2017-06-13 US disclosed
US-20160311849-A1 Industrial Process for the Synthesis of Ulipristal Acetate and its 4'-Acetyl Analogue RICHTER GEDEON NYRT. (HU) 2016-10-27 US disclosed
EP-3052513-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ULIPRISTAL ACETATE AND ITS 4'-ACETYL ANALOGUE Richter Gedeon Nyrt. (HU) 2016-08-10 EP disclosed
US-9163058-B2 Method for preparing ulipristal acetate and key intermediate thereof UTOPHARM (SHANGHAI) CO., LTD (CN) 2015-10-20 US disclosed
WO-2015049637-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF ULIPRISTAL ACETATE AND ITS 4'-ACETYL ANALOGUE RICHTER GEDEON NYRT. (HU) 2015-04-09 WO disclosed
US-20140296510-A1 Method for preparing ulipristal acetate and key intermediate thereof Changzhou Siyao Pharm Co., Ltd. (CN) 2014-10-02 US disclosed
EP-2774933-A1 ULIPRISTAL ACETATE PREPARATION METHOD AND INTERMEDIATE THEREOF Utopharm (Shanghai) Co., Ltd (CN) 2014-09-10 EP disclosed
WO-2007144674-A1 INDUSTRIAL PROCESS FOR THE SYNTHESIS OF 17α-ACETOXY-11β-[4-(N,N-DIMETHYL-AMINO)- PHENYL]-19-NORPREGNA-4,9-DIENE-3,20-DIONE AND NEW INTERMEDIATES OF THE PROCESS RICHTER GEDEON NYRT (HU) 2007-12-21 WO disclosed
US-20050143365-A1 Structural modification of 19-norprogesterone I: 17-alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as new antiprogestational agents NATIONAL INSTITUTES OF HEALTH 2005-06-30 US disclosed
EP-1265911-A2 17-ALPHA-SUBSTITUTED-11-BETA-SUBSTITUTED-4-ARYL AND 21-SUBSTITUTED 19-NORPREGNADIENEDIONE AS ANTIPROGESTATIONAL AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-12-18 EP disclosed
WO-2001074840-A2 17-ALPHA-SUBSTITUTED-11-BETA-SUBSTITUTED-4-ARYL AND 21-SUBSTITUTED 19-NORPREGNA 21-SUBSTITUTED 19-NORPREGNADIENEDIONE AS ANTIPROGESTATIONAL AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES (US) 2001-10-11 WO disclosed
EP-0422100-B1 11 BETA-SUBSTITUTED PROGESTERONE ANALOGS RES TRIANGLE INST (US) 1997-03-12 EP disclosed
EP-0422100-A4 1994-04-27 EP disclosed
US-5073548-A Antiprogestational, progestational and antiglucocorticoid activity; glandular disorders; vision defects; antifertility agents RESEARCH TRIANGLE INSTITUTE (US) 1991-12-17 US disclosed
EP-0422100-A1 11-g(b)-SUBSTITUTED PROGESTERONE ANALOGS. RES TRIANGLE INST (US) 1991-04-17 EP disclosed
US-4954490-A HORMONE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 1990-09-04 US disclosed
WO-1989012448-A1 11beta-SUBSTITUTED PROGESTERONE ANALOGS RESEARCH TRIANGLE INSTITUTE (US) 1989-12-28 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-20160311849-A1 Industrial Process for the Synthesis of Ulipristal Acetate and its 4'-Acetyl Analogue AADAC, NAT1, UBA1 LMNA 3089/4885HSD17B1 684/4885MAPT 1859/4885
US-20140296510-A1 Method for preparing ulipristal acetate and key intermediate thereof KIT, UGT1A4, CYP4A11 LMNA 642/4885HSD17B1 531/4885MAPT 2896/4885
US-20050143365-A1 Structural modification of 19-norprogesterone I: 17-alpha-substituted-11-beta-substituted-4-aryl and 21-substituted 19-norpregnadienedione as new antiprogestational agents HSD17B11, NR5A1, CYP19A1 LMNA 384/4885HSD17B1 21/4885MAPT 4803/4885

“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.