SCHEMBL1780130

SCHEMBL1780130

C=C1C[C@@H]2[C@@H](CC[C@]3(C)CCC[C@@H]23)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.55
CYP19A1 P11511 13/20 0.54
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ABCB11 O95342 1/20 0.48
NR3C1 P04150 1/20 0.48
PGR P06401 1/20 0.48
HTR2A P28223 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 1/20 0.48
SHBG P04278 2/20 0.43
SERPINA6 P08185 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B3 P37058 2/20 0.43
SNCA P37840 2/20 0.43
BLM P54132 2/20 0.43
PMP22 Q01453 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL1780129 1.00 CYP17A1 (0.55) CYP17A1CYP19A1ALDH1A1KDM4EABCB11
SCHEMBL1900489 0.88 CYP19A1 (0.70) CYP19A1ALDH1A1NR3C1PGRMAPK1
SCHEMBL1900487 0.88 CYP19A1 (0.70) CYP19A1ALDH1A1NR3C1PGRMAPK1
SCHEMBL349056 0.84 CYP19A1 (0.76) CYP17A1CYP19A1ALDH1A1KDM4EABCB11
SCHEMBL10187417 0.84 CYP19A1 (0.76) CYP17A1CYP19A1ALDH1A1KDM4EABCB11
SCHEMBL349057 0.84 CYP19A1 (0.76) CYP17A1CYP19A1ALDH1A1KDM4EABCB11
SCHEMBL8980421 0.84 CYP19A1 (0.54) CYP17A1CYP19A1ALDH1A1KDM4EABCB11
SCHEMBL8980429 0.84 CYP19A1 (0.54) CYP17A1CYP19A1ALDH1A1KDM4EABCB11
SCHEMBL10380895 0.84 CYP19A1 (0.72) CYP17A1CYP19A1ALDH1A1NR3C1PGR
SCHEMBL10380893 0.84 CYP19A1 (0.72) CYP17A1CYP19A1ALDH1A1NR3C1PGR

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-20110118488-A1 PROCESS FOR OBTAINING 6-ALKYLIDENANDROST-1, 4-DIENE-3-ONE CRYSTAL PHARMA, S.A. (ES) 2011-05-19 US disclosed
WO-2009077454-A1 PROCESS FOR OBTAINING 6-ALKYLIDENANDROST-1, 4-DIENE-3-ONE CRYSTAL PHARMA, S.A. (ES) 2009-06-25 WO disclosed
EP-2070943-A1 Process for obtaining 6-Alkylidenandrost-1,4-diene-3one Crystal Pharma, S.A. (ES) 2009-06-17 EP disclosed
US-5227375-A Androstanediones, estrogen-dependent diseases, anticancer ENDORECHERCHE, INC. (CA) 1993-07-13 US disclosed
EP-0307135-B1 17-SUBSTITUTED ANDROSTA-1,4-DIEN-3-ONE DERIVATIVES FARMITALIA CARLO ERBA S.r.l. (IT) 1992-08-19 EP disclosed
WO-1991012206-A2 AROMATASE-INHIBITING STEROIDS ENDORECHERCHE INC. (CA) 1991-08-22 WO disclosed
US-3953483-A ANTI-ANDROGENIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-04-27 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-20110118488-A1 PROCESS FOR OBTAINING 6-ALKYLIDENANDROST-1, 4-DIENE-3-ONE SRD5A1, SRD5A2, NR5A1 CYP17A1 4/4885CYP19A1 6/4885ALDH1A1 120/4885

“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.