SCHEMBL12101456

SCHEMBL12101456

CC(=O)O[C@H]1CCC2C3C=CC4=CC(=O)CCC4C3CC[C@@]21C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.54
▸ AR P10275 6/20 0.52
▸ PGR P06401 5/20 0.52
▸ NR3C2 P08235 2/20 0.52
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ ESR1 P03372 2/20 0.45
▸ CYP3A4 P08684 4/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ BRCA1 P38398 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SERPINA6 P08185 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP2C19 P33261 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CHRM1 P11229 1/20 0.41

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
SCHEMBL14200096 1.00 CYP17A1 (0.54) CYP17A1ARPGRNR3C2MAPT
SCHEMBL29519614 1.00 CYP17A1 (0.54) CYP17A1ARPGRNR3C2MAPT
SCHEMBL3750546 1.00 CYP17A1 (0.54) CYP17A1ARPGRNR3C2MAPT
SCHEMBL13139936 1.00 CYP17A1 (0.54) CYP17A1ARPGRNR3C2MAPT
SCHEMBL17302786 1.00 CYP17A1 (0.54) CYP17A1ARPGRNR3C2MAPT
SCHEMBL13397495 1.00 CYP17A1 (0.54) CYP17A1ARPGRNR3C2MAPT
SCHEMBL12437208 1.00 CYP17A1 (0.54) CYP17A1ARPGRNR3C2MAPT
SCHEMBL8843324 1.00 CYP17A1 (0.54) CYP17A1ARPGRNR3C2MAPT
SCHEMBL11747587 0.89 AR (0.48) CYP17A1ARPGRNR3C2MAPT
SCHEMBL24711581 0.86 MAPT (0.49) CYP17A1ARPGRNR3C2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227492-A1 MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME THE USA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-07-20 — — US disclosed
US-20230227492-A1 MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME THE USA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-07-20 — — US disclosed
WO-2021252761-A2 MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-12-16 — — WO disclosed
EP-1918295-B1 Process and intermediates for the production of 7-substituted antiestrogens ASTRAZENECA AB (SE) 2016-04-06 — — EP disclosed
WO-2015181116-A1 PROCESS AND INTERMEDIADES FOR THE PREPARATION OF 7-ALKYLATED STEROIDS CRYSTAL PHARMA, S.A.U. (ES) 2015-12-03 — — WO disclosed
EP-1608670-B1 PROCESS FOR THE PRODUCTION OF TIBOLONE RESOLUTION CHEMICALS LTD (GB) 2013-09-11 — — EP disclosed
EP-2497776-A2 Process for the production of tibolone Resolution Chemicals Limited (GB) 2012-09-12 — — EP disclosed
EP-1436256-B1 PREPARATION PROCESS OF SOME HALOGENO-SUBSTITUTED MONOSULFIDES AND THEIR HYDROXY-MONOSULFIDE OR ISOTHIOURONIUM BROMIDE EQUIVALENTS AS INTERMEDIATES ASTRAZENECA AB (SE) 2011-08-10 — — EP disclosed
US-7947667-B2 Aromatization; hydrolysis; deblocking, deprotecting; oxidation; for production of fulvestrant ASTRAZENECA AB (SE) 2011-05-24 — — US disclosed
US-7947667-B2 Aromatization; hydrolysis; deblocking, deprotecting; oxidation; for production of fulvestrant ASTRAZENECA AB (SE) 2011-05-24 — — US disclosed
US-7884222-B2 protecting the 17-hydroxy group and the 3-keto group of nandrolone, then halogenating, methylating, isomerizing, dehydrogenating, reducing, oxidizing, ethynylating and deprotecting to form 17 beta -hydroxy-7 alpha -methyl-19-nor-17 alpha -pregn-5(10)-ene-20-yne-3-one RESOLUTION CHEMICALS LIMITED (GB) 2011-02-08 — — US disclosed
US-7884222-B2 protecting the 17-hydroxy group and the 3-keto group of nandrolone, then halogenating, methylating, isomerizing, dehydrogenating, reducing, oxidizing, ethynylating and deprotecting to form 17 beta -hydroxy-7 alpha -methyl-19-nor-17 alpha -pregn-5(10)-ene-20-yne-3-one RESOLUTION CHEMICALS LIMITED (GB) 2011-02-08 — — US disclosed
US-20090062236-A1 Programmable genotoxic agents and uses therefor MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-03-05 — — US disclosed
EP-1328538-B1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF 7-SUBSTITUTED ANTIESTROGENS ASTRAZENECA AB (SE) 2008-08-06 — — EP disclosed
US-7323602-B2 Preparation process of some halogeno-substituted monosulfides and their hydroxy-monosulfide or isothiouronium bromide equivalents as intermediates ASTRAZENECA AB (SE) 2008-01-29 — — US disclosed
US-7169611-B2 Programmable genotoxic agents and uses therefor MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-01-30 — — 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 (1 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-20230227492-A1 MONOMERIC AND OLIGOMERIC COMPOUND EMBODIMENTS AS CONTRACEPTIVES AND THERAPIES AND METHODS OF MAKING AND USING THE SAME SHBG, CYP19A1, GNRHR CYP17A1 18/4885AR 7/4885PGR 16/4885

“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.

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