Sugi Predict

Sugi Predict / Compounds / Bolasterone

Bolasterone

Bolasterone

SCHEMBL5656551

CC1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 6/20 1.00
▸ ALDH1A1 P00352 2/20 0.78
▸ CYP19A1 P11511 1/20 0.70
▸ NR3C1 P04150 2/20 0.65
▸ PGR P06401 2/20 0.65
▸ ADRA1A P35348 2/20 0.65
▸ HTR2B P41595 2/20 0.65
▸ AR P10275 8/20 0.62
▸ CYP3A4 P08684 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ ABCB1 P08183 1/20 0.50
▸ NR3C2 P08235 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ SLC47A1 Q96FL8 1/20 0.50

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
Bolasterone SCHEMBL10904938 1.00 SHBG (1.00) SHBGALDH1A1CYP19A1NR3C1PGR
Bolasterone SCHEMBL145066 1.00 SHBG (1.00) SHBGALDH1A1CYP19A1NR3C1PGR
Calusterone SCHEMBL4509 1.00 SHBG (1.00) SHBGALDH1A1CYP19A1NR3C1PGR
Bolasterone SCHEMBL11876760 1.00 SHBG (1.00) SHBGALDH1A1CYP19A1NR3C1PGR
Bolasterone SCHEMBL4945157 1.00 SHBG (1.00) SHBGALDH1A1CYP19A1NR3C1PGR
SCHEMBL8340651 0.90 SHBG (0.82) SHBGALDH1A1CYP19A1NR3C1PGR
SCHEMBL8340653 0.90 SHBG (0.82) SHBGALDH1A1CYP19A1NR3C1PGR
Calusterone SCHEMBL5323303 0.87 SHBG (0.76) SHBGALDH1A1CYP19A1NR3C1PGR
SCHEMBL5700143 0.86 SHBG (0.76) SHBGALDH1A1CYP19A1NR3C1PGR
SCHEMBL5700149 0.86 SHBG (0.76) SHBGALDH1A1CYP19A1NR3C1PGR

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3937827-A DIMETHYLTESTOESTORONE THE UPJOHN COMPANY (US) 1976-02-10 — — US claimed
US-20240238310-A1 MODULATION OF SEX STEROID HORMONE PRODUCTION AND ACTIVITY FOR TREATING AND PREVENTING HERNIAS NORTHWESTERN UNIVERSITY 2024-07-18 — — US disclosed
US-20210283144-A1 MODULATION OF SEX STEROID HORMONE PRODUCTION AND ACTIVITY FOR TREATING AND PREVENTING HERNIAS NORTHWESTERN UNIVERSITY 2021-09-16 — — US disclosed
EP-0941039-A4 TRANSDERMAL ADMINISTRATION OF MENT POPULATION COUNCIL INC (US) 2006-06-21 — — EP disclosed
US-7018648-B2 Transdermal device for administering testosterone or one of the derivatives thereof PIERRE FABRE MEDICAMENT (FR) 2006-03-28 — — US disclosed
EP-1330251-A4 COMBINATION THERAPY FOR THE TREATMENT OF ESTROGEN-SENSITIVE DISEASE INTARCIA THERAPEUTICS INC (US) 2006-03-15 — — EP disclosed
US-20050256051-A1 Nuclear receptor-mediated introduction of a PNA into cell nuclei THE POPULATION COUNCIL, INC. (US) 2005-11-17 — — US disclosed
US-20050232862-A1 Combination therapy for the treatment of estrogen-sensitive drugs INTARCIA THERAPEUTICS, INC. 2005-10-20 — — US disclosed
US-20050228053-A1 Combination therapy for the treatment of estrogen-sensitive disease INTARCIA THERAPEUTICS, INC. 2005-10-13 — — US disclosed
US-20050176691-A1 Combination therapy for the treatment of estrogen-sensitive disease INTARCIA THERAPEUTICS, INC. 2005-08-11 — — US disclosed
US-5342834-A Administering testosterone derivatives THE POPULATION COUNCIL, INC. (US) 1994-08-30 — — US disclosed
EP-0591311-A1 CONTROLLED RELEASE SYSTEMS AND LOW DOSE ANDROGENS ENDORECHERCHE INC. (CA) 1994-04-13 — — EP disclosed
WO-1993000070-A1 CONTROLLED RELEASE SYSTEMS AND LOW DOSE ANDROGENS ENDORECHERCHE INC. (CA) 1993-01-07 — — WO disclosed
EP-0462189-A1 COMBINATION THERAPY FOR TREATMENT OF ESTROGEN SENSITIVE DISEASES. ENDORECHERCHE INC (CA) 1991-12-27 — — EP disclosed
WO-1990010462-A1 COMBINATION THERAPY FOR TREATMENT OF ESTROGEN SENSITIVE DISEASES ENDORECHERCHE INC. (CA) 1990-09-20 — — WO disclosed
US-4412993-A 7-A-METHYLTESTOSTERONES THE UPJOHN COMPANY (US) 1983-11-01 — — US disclosed
US-4013688-A STEROIDS THE UPJOHN COMPANY (US) 1977-03-22 — — US disclosed
US-4006172-A CHROMIUM TRIOXIDE-PYRAZOLE COMPLEX AS OXIDIZER THE UPJOHN COMPANY (US) 1977-02-01 — — US disclosed
US-3956316-A PROGESTATIONAL AND SALT-RETAINING AGENTS HOFFMANN-LA ROCHE INC. (US) 1976-05-11 — — US disclosed
US-3937827-A DIMETHYLTESTOESTORONE THE UPJOHN COMPANY (US) 1976-02-10 — — 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 (3 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-20050232862-A1 Combination therapy for the treatment of estrogen-sensitive drugs ESR2, ESR1, ESRRB SHBG 16/4885ALDH1A1 833/4885CYP19A1 10/4885
US-20050228053-A1 Combination therapy for the treatment of estrogen-sensitive disease ESR2, ESRRB, ESR1 SHBG 14/4885ALDH1A1 925/4885CYP19A1 11/4885
US-20050176691-A1 Combination therapy for the treatment of estrogen-sensitive disease ESR2, ESRRB, ESR1 SHBG 14/4885ALDH1A1 925/4885CYP19A1 11/4885

“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.