SCHEMBL4541005

SCHEMBL4541005

CC(=O)[C@@]12OC1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 3/20 1.00
▸ SERPINA6 P08185 6/20 0.66
▸ SHBG P04278 7/20 0.65
▸ LMNA P02545 6/20 0.65
▸ SMN1; SMN2 Q16637 6/20 0.65
▸ BLM P54132 4/20 0.65
▸ NR3C1 P04150 3/20 0.65
▸ MAPT P10636 3/20 0.65
▸ CYP2C19 P33261 3/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ ADORA3 P0DMS8 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ MAPK3 P27361 1/20 0.65
▸ SLC6A3 Q01959 1/20 0.65
▸ ALDH1A1 P00352 5/20 0.60
▸ PGR P06401 2/20 0.60
▸ ADRA1A P35348 2/20 0.60
▸ HTR2B P41595 2/20 0.60
▸ CYP3A4 P08684 5/20 0.56
▸ TSHR P16473 4/20 0.56

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
SCHEMBL29409283 1.00 CYP17A1 (1.00) CYP17A1SERPINA6SHBGLMNASMN1; SMN2
SCHEMBL29500568 1.00 CYP17A1 (1.00) CYP17A1SERPINA6SHBGLMNASMN1; SMN2
SCHEMBL4539514 1.00 CYP17A1 (1.00) CYP17A1SERPINA6SHBGLMNASMN1; SMN2
SCHEMBL7993136 1.00 CYP17A1 (1.00) CYP17A1SERPINA6SHBGLMNASMN1; SMN2
Algestone Acetonide SCHEMBL42582 0.92 CYP17A1 (0.85) CYP17A1SERPINA6SHBGLMNASMN1; SMN2
SCHEMBL151266 0.87 CYP17A1 (0.76) CYP17A1SERPINA6SHBGLMNASMN1; SMN2
Algestone Acetophenide SCHEMBL1649218 0.87 CYP17A1 (0.76) CYP17A1SERPINA6SHBGLMNASMN1; SMN2
Algestone Acetophenide SCHEMBL3039564 0.87 CYP17A1 (0.76) CYP17A1SERPINA6SHBGLMNASMN1; SMN2
Algestone Acetophenide SCHEMBL282250 0.87 CYP17A1 (0.76) CYP17A1SERPINA6SHBGLMNASMN1; SMN2
SCHEMBL27759498 0.85 CYP17A1 (0.73) CYP17A1SERPINA6SHBGLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117030904-B Method for measuring 144 steroid hormones in environmental sample by liquid chromatography-mass spectrometry 北京林业大学 2023-12-19 — — CN claimed
CN-117164875-A Preparation method of tubular metal copper phthalocyanine polymer and cyclic carbonate 浙江理工大学 2023-12-05 — — CN claimed
CN-117030904-A Method for measuring 144 steroid hormones in environmental sample by liquid chromatography-mass spectrometry 北京林业大学 2023-11-10 — — CN claimed
CN-111020841-B Deodorant garment materials 迈科凯普(杭州)生物科技有限公司 2021-07-13 — — CN claimed
CN-111020841-A Deodorant garment materials 顾正明 2020-04-17 — — CN claimed
CN-108254365-B A kind of the magnetic immunochemiluminescence detection kit and its application of progesterone 北京勤邦生物技术有限公司 2019-11-05 — — CN claimed
CN-117164875-A Preparation method of tubular metal copper phthalocyanine polymer and cyclic carbonate 浙江理工大学 2023-12-05 — — CN disclosed
US-20230296574-A1 ANALYSIS METHOD AND ANALYSIS SYSTEM FOR BILE ACIDS, STEROLS, AND HORMONES KAZUSA DNA RESEARCH INSTITUTE (JP) 2023-09-21 — — US disclosed
EP-4209782-A1 ANALYSIS METHOD AND ANALYSIS SYSTEM FOR BILE ACIDS, STEROLS, AND HORMONES Aderans Company Limited (JP) 2023-07-12 — — EP disclosed
CN-116075720-A Method and system for analyzing bile acids, sterols and hormones 爱德兰丝株式会社 2023-05-05 — — CN disclosed
US-20220175819-A1 DELIVERY AND RETENTION OF ACTIVE AGENTS WITHIN THE SKIN FOUNT BIO, INC. 2022-06-09 — — US disclosed
EP-3336098-B1 SKIN PERMEABLE PEPTIDE AND METHOD FOR USING SAME IUCF HYU (KR) 2021-08-11 — — EP disclosed
CN-111020841-B Deodorant garment materials 迈科凯普(杭州)生物科技有限公司 2021-07-13 — — CN disclosed
US-20120165526-A1 Useful Pharmaceutical Salts of 7- [(3R, 4R) - 3 - Hydroxy -4 - Hydroxymethyl - Pyrrolidin -1- Ylmethyl] -3, 5-Dihydro-Pyrrolo [3, 2-D] Pyrimidin -4-One WILMINGTON TRUST, NATIONAL ASSOCIATION 2012-06-28 — — US disclosed
US-20120128756-A1 Skin Permeating And Cell Entering (SPACE) Peptides and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-24 — — US disclosed
WO-2012064429-A2 SKIN PERMEATING AND CELL ENTERING (SPACE) PEPTIDES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-18 — — WO disclosed
US-6274118-B1 INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE NORDION INTERNATIONAL INC. (CA) 2001-08-14 — — US disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 — — WO disclosed
US-4397947-A NOCARDIA G. D. SEARLE & CO. (US) 1983-08-09 — — US disclosed
US-4322349-A Process for preparing 6-methylene steroids SCHERING AKTIENGESELLSCHAFT (DE) 1982-03-30 — — 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 (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-20220175819-A1 DELIVERY AND RETENTION OF ACTIVE AGENTS WITHIN THE SKIN MMP8, MMP7, MMP1 CYP17A1 3096/4885SERPINA6 221/4885SHBG 2570/4885
US-20120165526-A1 Useful Pharmaceutical Salts of 7- [(3R, 4R) - 3 - Hydroxy -4 - Hydroxymethyl - Pyrrolidin -1- Ylmethyl] -3, 5-Dihydro-Pyrrolo [3, 2-D] Pyrimidin -4-One HPD, PGD, DPYD CYP17A1 2511/4885SERPINA6 2927/4885SHBG 3837/4885

“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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