SCHEMBL3224692

SCHEMBL3224692

C[C@@]12CCC[C@H]1[C@@H]1CCC3CC=CC[C@]3(C=S)[C@H]1CC2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
NR1I3 Q14994 1/20 0.43
MBOAT4 Q96T53 3/20 0.41
CYP19A1 P11511 4/20 0.39
GRIN1 Q05586 7/20 0.38
GRIN2B Q13224 7/20 0.38
SHBG P04278 1/20 0.30

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
SCHEMBL10780071 0.87 CDK5 (0.43) CDK5CDK5R1NR1I3MBOAT4CYP19A1
SCHEMBL2955007 0.80 CYP19A1 (0.59) CDK5CDK5R1NR1I3MBOAT4CYP19A1
SCHEMBL5450814 0.80 CYP19A1 (0.59) CDK5CDK5R1NR1I3MBOAT4CYP19A1
SCHEMBL947526 0.79 CDK5 (0.47) CDK5CDK5R1NR1I3MBOAT4CYP19A1
SCHEMBL10609022 0.75 CDK5 (0.44) CDK5CDK5R1NR1I3MBOAT4CYP19A1
SCHEMBL10609234 0.74 CDK5 (0.43) CDK5CDK5R1NR1I3MBOAT4CYP19A1
SCHEMBL11654859 0.74 NR1I3 (0.46) CDK5CDK5R1NR1I3MBOAT4CYP19A1
SCHEMBL4617584 0.68 CDK5 (0.47) CDK5CDK5R1NR1I3MBOAT4CYP19A1
SCHEMBL11610130 0.68 CDK5 (0.47) CDK5CDK5R1NR1I3MBOAT4CYP19A1
SCHEMBL11537301 0.68 CDK5 (0.47) CDK5CDK5R1NR1I3MBOAT4CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220054501-A1 MEDICATION AGAINST ESTROGEN-RECEPTOR b (ER.beta) POSITIVE BREAST TUMOR DCIC BIOPHARMACEUTICAL LIMITED (HK) 2022-02-24 US disclosed
EP-3860611-A1 MEDICATION AGAINST ESTROGEN-RECEPTOR SS (ERSS) POSITIVE BREAST TUMOR dcic Biopharmaceutical Limited (HK) 2021-08-11 EP disclosed
WO-2020120739-A1 MEDICATION AGAINST ESTROGEN-RECEPTOR ß (ERß) POSITIVE BREAST TUMOR DCIC BIOPHARMACEUTICAL LIMITED (CN) 2020-06-18 WO disclosed
EP-3666276-A1 MEDICATION AGAINST ESTROGEN-RECEPTOR BETA (ERBETA) POSITIVE BREAST TUMOR dcic Biopharmaceutical Limited (HK) 2020-06-17 EP disclosed
US-9610292-B2 Uses for 4,17β-dihydroxyandrost-4-ene-3-one MABEL GMBH (DE) 2017-04-04 US disclosed
EP-2556082-B1 SUBSTITUTED ANDROST-4-ENE DIONES UNIV EMORY (US) 2017-02-22 EP disclosed
US-20160030448-A1 Uses for 4, 17ß-dihydroxyandrost-4-ene-3-one MABEL GMBH (DE) 2016-02-04 US disclosed
US-9138477-B2 Uses for 4,17β-dihydroxyandrost-4-ene-3-one MABEL GMBH (DE) 2015-09-22 US disclosed
US-9114163-B2 Medication against breast cancer and related diseases MABEL GMBH (DE) 2015-08-25 US disclosed
US-20150148321-A1 SUBSTITUTED ANDROST-4-ENE DIONES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-28 US disclosed
US-4840943-A Androst-4-ene-3,17-diones and process for their preparation FARMITALIA CARLO EBRA S.R.L. (IT) 1989-06-20 US disclosed
US-4824830-A AROMATASE INHIBITORS; ANTICARCINOGENIC AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-04-25 US disclosed
US-4822528-A AROMATASE INHIBITORS; TREATMENT OF HORMONE-DEPENDENT TUMORS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-04-18 US disclosed
EP-0307135-A1 17-substituted androsta-1,4-dien-3-one derivatives FARMITALIA CARLO ERBA S.r.l. (IT) 1989-03-15 EP disclosed
US-4810423-A AROMATASE INHIBITORS, ANTICANCER FARMITALIA CARLO ERBA S. R. L. (IT) 1989-03-07 US disclosed
US-4808616-A 6-substituted androsta-1,4-diene-3,17-diones FARMITALIA CARLO ERBA S.R.L. (IT) 1989-02-28 US disclosed
US-4808578-A ANTICARCINOGENIC AGENTS FARMITALIA CARLO ERBA S. R. L. (IT) 1989-02-28 US disclosed
EP-0265119-A1 1,2-Beta-methylene-4-substituted androstene-3,17-dione derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-04-27 EP disclosed
EP-0260975-A1 4-Substituted 6- alkylidenandrostene-3,17-dione derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-03-23 EP disclosed
EP-0250262-A1 New androst-4-ene-3,17-diones and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1987-12-23 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 (2 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-20150148321-A1 SUBSTITUTED ANDROST-4-ENE DIONES HSD17B11, AR, NR5A1 CDK5 288/4885CDK5R1 184/4885NR1I3 88/4885
US-20220054501-A1 MEDICATION AGAINST ESTROGEN-RECEPTOR b (ER.beta) POSITIVE BREAST TUMOR ESR1, GPER1, CYP19A1 CDK5 2432/4885CDK5R1 1257/4885NR1I3 71/4885

“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.