SCHEMBL547771

SCHEMBL547771

C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@H]43)[C@@H]1CC[C@@H]2O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 5/20 0.65
▸ SERPINA6 P08185 3/20 0.65
▸ SLC22A1 O15245 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ THRB P10828 1/20 0.65
▸ PDK1 Q15118 2/20 0.62
▸ PDK2 Q15119 2/20 0.62
▸ PDK3 Q15120 2/20 0.62
▸ PDK4 Q16654 2/20 0.62
▸ ESR1 P03372 6/20 0.62
▸ ESR2 Q92731 5/20 0.62
▸ LMNA P02545 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ G6PD P11413 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ MAPK1 P28482 2/20 0.47

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
SCHEMBL21807739 1.00 SHBG (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL4925553 1.00 SHBG (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL3181285 1.00 SHBG (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL6655376 1.00 SHBG (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL6448963 1.00 SHBG (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL6575174 1.00 SHBG (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL6573913 1.00 SHBG (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL6575143 1.00 SHBG (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
Propionic Acid SCHEMBL634971 0.91 PDK1 (0.60) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL4321179 0.87 SHBG (0.50) SHBGSERPINA6SLC22A1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3612223-B1 TREATING MALE SENESCENCE NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2024-07-31 — — EP claimed
US-11090307-B2 Treating male senescence NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-08-17 — — US claimed
EP-3808348-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) Biogen MA Inc. (US) 2021-04-21 — — EP claimed
EP-3612223-A1 Treating Male Senescence National Institute Of Biological Sciences, Beijing (CN) 2020-02-26 — — EP claimed
US-20200046714-A1 Treating Male Senescence NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-13 — — US claimed
WO-2018192416-A1 Treating Male Senescence NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-10-25 — — WO claimed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 — — US claimed
CN-101883556-B Transdermal delivery system for hormones and steroids ACRUX DDS PTY LTD 2013-05-29 — — CN claimed
US-8110565-B2 Of the ACE inhibitor ramipril; controlling the melting point by mixing with the free acid with the ramipril ethyl or methyl ester prodrug and a pressure sensitive adhesive carrier; improved pharmacokinetics; sustained release NOVEN PHARMACEUTICALS, INC. (US) 2012-02-07 — — US claimed
EP-1406633-B1 ENHANCED DRUG DELIVERY IN TRANSDERMAL SYSTEMS NOVEN PHARMA (US) 2011-10-05 — — EP claimed
US-20030134828-A1 Composition and method for increasing in vivo androgen concentration ROBERTS WILLIAM J (US) 2003-07-17 — — US claimed
WO-2003002058-A2 BONE ANABOLIC COMPOUNDS AND METHODS OF USE ANABONIX, INC. (US) 2003-01-09 — — WO claimed
WO-2002102390-A1 ENHANCED DRUG DELIVERY IN TRANSDERMAL SYSTEMS NOVEN PHARMACEUTICALS, INC. (US) 2002-12-27 — — WO claimed
US-20020183532-A1 Bioavailable prodrugs of androgenic steroids and related method BIOTEST LABORATORIES, LLC 2002-12-05 — — US claimed
CN-1294519-A Pharmaceutical composition containing a compound having an activity of promoting the absorption of an active ingredient INPHARMA SA (CH) 2001-05-09 — — CN claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 — — EP claimed
US-6117429-A ANTIDIHYDROTESTOSTERONE ZINC COMPOUND WEIDER NUTRITION INTERNATIONAL, INC (US) 2000-09-12 — — US claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 — — WO claimed
WO-1999007381-A1 COMPOSITIONS AND TREATMENTS TO REDUCE SIDE EFFECTS OF ADMINISTRATION OF ANDROGENIC TESTOSTERONE PRECURSORS WEIDER NUTRITION INTERNATIONAL, INC. (US) 1999-02-18 — — WO claimed
EP-0496520-A1 Novel bone acting agents MERCK & CO. INC. (US) 1992-07-29 — — EP claimed

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-11090307-B2 Treating male senescence RIPK3, RIPK1, MLKL SHBG 293/4885SERPINA6 4024/4885SLC22A1 4608/4885
US-20200046714-A1 Treating Male Senescence RIPK3, RIPK1, MLKL SHBG 293/4885SERPINA6 4024/4885SLC22A1 4608/4885
US-20030134828-A1 Composition and method for increasing in vivo androgen concentration SHBG, CYP21A2, CYP19A1 SHBG 1/4885SERPINA6 108/4885SLC22A1 768/4885

“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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