SCHEMBL2318525

SCHEMBL2318525

CCOC1=CC2=CC[C@@H]3[C@H](CC[C@]4(CC)C(=O)C[C@H](OC(C)=O)[C@@H]34)[C@H]2CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.38
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP19A1 P11511 3/20 0.31

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
SCHEMBL2334303 1.00 SRD5A2 (0.38) SRD5A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL2319038 0.93 SRD5A2 (0.39) SRD5A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL2339044 0.93 SRD5A2 (0.39) SRD5A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL12973080 0.88 SRD5A2 (0.39) SRD5A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL2342637 0.83 SRD5A2 (0.36) SRD5A2
SCHEMBL10532677 0.83 SRD5A2 (0.37) SRD5A2
SCHEMBL10536204 0.81 SRD5A2 (0.37) SRD5A2
SCHEMBL3645281 0.79 SRD5A2 (0.45) SRD5A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL6841929 0.78 SRD5A2 (0.47) SRD5A2CYP19A1
SCHEMBL6841928 0.78 SRD5A2 (0.47) SRD5A2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201452-B1 PROCESS FOR THE PREPARATION OF 17-ALPHA-ETHYNYL-17-BETA-HYDROXY-18-METHYL-ESTRA-4,15-DIEN-3-ONE AND THE STARTING PRODUCTS FOR THIS PROCESS SCHERING AKTIENGESELLSCHAFT (DE) 1989-08-09 EP claimed
US-4719054-A Process for the production of 17α-ethynyl-17β-hydroxy-18-methyl-4,15-estradien-3-one, and novel 3,5-estradien-17-one starting compounds for this process SCHERING AKTIENGESELLSCHAFT (DE) 1988-01-12 US claimed
US-9012667-B2 Process for introducing a double bond into position 15, 16 of a steroid LABORATOIRE THERAMEX (MC) 2015-04-21 US disclosed
EP-2534165-B1 A PROCESS FOR INTRODUCING A DOUBLE BOND INTO POSITION 15,16 OF A STEROID THERAMEX (MC) 2013-07-24 EP disclosed
US-20130137885-A1 PROCESS FOR INTRODUCING A DOUBLE BOND INTO POSITION 15, 16 OF A STEROID LABORATOIRE THERAMEX (MC) 2013-05-30 US disclosed
EP-2534165-A2 A PROCESS FOR INTRODUCING A DOUBLE BOND INTO POSITION 15,16 OF A STEROID Laboratoire Theramex (MC) 2012-12-19 EP disclosed
WO-2011098439-A2 A PROCESS FOR INTRODUCING A DOUBLE BOND INTO POSITION 15,16 OF A STEROID LABORATOIRE THERAMEX (MC) 2011-08-18 WO disclosed
EP-2354150-A1 Process for the preparation of gestodene LABORATOIRE THERAMEX (MC) 2011-08-10 EP disclosed
EP-0201452-B1 PROCESS FOR THE PREPARATION OF 17-ALPHA-ETHYNYL-17-BETA-HYDROXY-18-METHYL-ESTRA-4,15-DIEN-3-ONE AND THE STARTING PRODUCTS FOR THIS PROCESS SCHERING AKTIENGESELLSCHAFT (DE) 1989-08-09 EP disclosed
US-4719054-A Process for the production of 17α-ethynyl-17β-hydroxy-18-methyl-4,15-estradien-3-one, and novel 3,5-estradien-17-one starting compounds for this process SCHERING AKTIENGESELLSCHAFT (DE) 1988-01-12 US disclosed
EP-0201452-A2 Process for the preparation of 17-alpha-ethynyl-17-beta-hydroxy-18-methyl-estra-4,15-dien-3-one and the starting products for this process SCHERING AKTIENGESELLSCHAFT (DE) 1986-11-12 EP 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-20130137885-A1 PROCESS FOR INTRODUCING A DOUBLE BOND INTO POSITION 15, 16 OF A STEROID CYP17A1, NR5A1, HSD17B7 SRD5A2 8/4885CYP3A4 86/4885CYP2C9 166/4885

“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.