SCHEMBL2318050

SCHEMBL2318050

CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1C(O)CC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.51
▸ SHBG P04278 2/20 0.51
▸ SERPINA6 P08185 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ SLC22A1 O15245 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ PGR P06401 6/20 0.49
▸ LMNA P02545 5/20 0.49
▸ AR P10275 5/20 0.49
▸ CYP3A4 P08684 4/20 0.49
▸ SLC6A4 P31645 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ESR1 P03372 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ NR3C1 P04150 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ NR3C2 P08235 1/20 0.46

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
SCHEMBL1421923 1.00 CYP19A1 (0.51) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL9327894 1.00 CYP19A1 (0.51) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL16661465 1.00 CYP19A1 (0.51) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL3643471 0.83 CYP19A1 (0.62) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL13372732 0.83 CYP19A1 (0.62) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL11148382 0.83 SLC6A4 (0.50) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL2317206 0.83 PGR (0.47) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL2341440 0.83 PGR (0.47) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL10533302 0.81 PGR (0.45) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1
SCHEMBL11140879 0.81 PGR (0.52) CYP19A1SHBGSERPINA6ALDH1A1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 CYP19A1 6/4885SHBG 29/4885SERPINA6 287/4885

“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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