SCHEMBL7196993

SCHEMBL7196993

CC(=O)OC1CC[C@H]2[C@@H]3CCC4CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP19A1 P11511 4/20 0.46
CYP3A4 P08684 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
BRCA1 P38398 1/20 0.46
RECQL P46063 1/20 0.46
AR P10275 1/20 0.44
ESR1 P03372 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8342869 1.00 CYP17A1 (0.48) CYP17A1MEN1KMT2ACYP19A1CYP3A4
SCHEMBL23630698 1.00 CYP17A1 (0.48) CYP17A1MEN1KMT2ACYP19A1CYP3A4
SCHEMBL8347257 1.00 CYP17A1 (0.48) CYP17A1MEN1KMT2ACYP19A1CYP3A4
SCHEMBL7196987 1.00 CYP17A1 (0.48) CYP17A1MEN1KMT2ACYP19A1CYP3A4
SCHEMBL6443645 0.89 MEN1 (0.46) CYP17A1MEN1KMT2ACYP19A1CYP3A4
SCHEMBL23378235 0.88 AR (0.44) MEN1KMT2ACYP19A1CYP3A4LMNA
SCHEMBL6436575 0.87 CYP3A4 (0.46) CYP17A1MEN1KMT2ACYP19A1CYP3A4
SCHEMBL5897208 0.87 CYP3A4 (0.46) CYP17A1MEN1KMT2ACYP19A1CYP3A4
SCHEMBL11329429 0.86 AR (0.42) MEN1KMT2ACYP19A1CYP3A4LMNA
SCHEMBL11329447 0.86 AR (0.42) MEN1KMT2ACYP19A1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030134828-A1 Composition and method for increasing in vivo androgen concentration ROBERTS WILLIAM J (US) 2003-07-17 US disclosed
US-5908944-A COPPER COMPOUND CATALYST SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-01 US disclosed
US-5908945-A COPPER COMPOUND AND SILYL REAGENT AS CATALYSTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-01 US disclosed
US-5804576-A CANCER PREVENTIVE AGENTS, ANTI-OBESITY AGENTS, TREATMENT OF DIABETES RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-09-08 US disclosed
US-5714481-A ADMINISTERING TO MAMMALIAN HOST A GLUCOSE-6-PHSOPHATE DEHYDROGENASE INHIBITOR, ANTICARCINOGENIC, ANTIOBASITY, ANTI-HYPERGLYCEMIC, ANTIAGING, ANTICHOLESTEROL AND ANTI-AUTOIMMUNE AGENT RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-02-03 US disclosed
EP-0691974-B1 ALKYLATING AGENT AND 1,4-ADDITION PROCESS OF AN ALKYL GROUP ONTO AN ALPHA, BETA-UNSATURATED KETONE COMPOUND SCHERING AG (DE) 1997-05-07 EP disclosed
EP-0534582-B1 Methylation or ethylation agent and process for an 1,4-addition of a methyl- or ethylgroup to an alpha, beta-insaturated ketogroup SCHERING AG (DE) 1997-01-08 EP disclosed
WO-1993006066-A1 METHYLATING OR ETHYLATING AGENT AND PROCESS FOR 1,4-ADDING A METHYL OR ETHYL GROUP TO AN α,β-UNSATURATED KETO COMPOUND __ SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-01 WO disclosed
EP-0534582-A1 Methylation or ethylation agent and process for an 1,4-addition of a methyl- or ethylgroup to an alpha, beta-insaturated ketogroup SCHERING AKTIENGESELLSCHAFT (DE) 1993-03-31 EP disclosed
EP-0133995-A2 Steroids and therapeutic compositions containing same RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1985-03-13 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-20030134828-A1 Composition and method for increasing in vivo androgen concentration SHBG, CYP21A2, CYP19A1 CYP17A1 4/4885MEN1 580/4885KMT2A 2352/4885

“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.