SCHEMBL2508395

SCHEMBL2508395

C[C@@]12CCC[C@H]1[C@@H]1CCC3=CCCC[C@@H]3[C@H]1CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.57
▸ CHRM2 P08172 3/20 0.57
▸ SLC6A2 P23975 3/20 0.57
▸ SLC6A4 P31645 3/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ ACHE P22303 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ PGR P06401 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MAOA P21397 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ ADORA3 P0DMS8 2/20 0.53
▸ AR P10275 2/20 0.53
▸ PTGS1 P23219 2/20 0.53
▸ SLC6A3 Q01959 2/20 0.53
▸ CHRM1 P11229 1/20 0.53

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
SCHEMBL11874257 1.00 ESR1 (0.57) ESR1CHRM2SLC6A2SLC6A4CYP2C19
SCHEMBL11866439 0.81 SLC6A4 (0.61) ESR1CHRM2SLC6A2SLC6A4CYP2C19
SCHEMBL2507306 0.80 CYP19A1 (0.40) ESR1CHRM2SLC6A2SLC6A4CYP2C19
SCHEMBL30361235 0.80 ESR1 (0.57) ESR1CHRM2SLC6A2SLC6A4CYP2C19
SCHEMBL19608861 0.78 CYP19A1 (0.66) ESR1SLC6A4CYP2C19ALDH1A1PGR
SCHEMBL7861153 0.78 CYP19A1 (0.66) ESR1CHRM2SLC6A2SLC6A4CYP2C19
SCHEMBL922877 0.78 CYP19A1 (0.66) ESR1SLC6A4CYP2C19ALDH1A1PGR
SCHEMBL3775778 0.78 ESR1 (0.55) ESR1CHRM2SLC6A2SLC6A4CYP2C19
SCHEMBL13216466 0.78 CYP19A1 (0.66) ESR1SLC6A4CYP2C19ALDH1A1PGR
SCHEMBL11977689 0.78 CYP19A1 (0.66) ESR1SLC6A4CYP2C19ALDH1A1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113045616-B Preparation method of 6-dehydronandrolone acetate 湖北共同药业股份有限公司 2022-06-14 — — CN claimed
US-6117429-A ANTIDIHYDROTESTOSTERONE ZINC COMPOUND WEIDER NUTRITION INTERNATIONAL, INC (US) 2000-09-12 — — US claimed
US-6011027-A Use of 19-nor-4-androstenediol to increase 19-nortestosterone levels in humans LPJ RESEARCH, INC. (US) 2000-01-04 — — US claimed
US-20240165245-A1 MULTIVALENT PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING SAME NEW YORK UNIVERSITY (US) 2024-05-23 — — US disclosed
US-11766480-B2 Multivalent peptoid oligomers, pharmaceutical compositions and methods of using same NEW YORK UNIVERSITY (US) 2023-09-26 — — US disclosed
CN-115448969-A Refining method of desogestrel 上海格苓凯生物科技有限公司 2022-12-09 — — CN disclosed
CN-113045616-B Preparation method of 6-dehydronandrolone acetate 湖北共同药业股份有限公司 2022-06-14 — — CN disclosed
EP-3955887-A1 DELIVERY AND RETENTION OF ACTIVE AGENTS WITHIN THE SKIN Fount Bio, Inc. (US) 2022-02-23 — — EP disclosed
EP-3808348-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) Biogen MA Inc. (US) 2021-04-21 — — EP disclosed
EP-3025714-B9 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC (US) 2020-11-18 — — EP disclosed
EP-3025714-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC (US) 2020-07-15 — — EP disclosed
US-8084446-B2 Use of DHEA derivatives for enhancing physical performance INTELLECTUAL WELLNESS, LLC 2011-12-27 — — US disclosed
US-20110245216-A1 USE OF DHEA DERIVATIVES FOR ENHANCING PHYSICAL PERFORMANCE PROPRIETARY WELLNESS LLC (US) 2011-10-06 — — US disclosed
EP-2200611-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) Biogen Idec MA, Inc. (US) 2010-06-30 — — EP disclosed
US-7655756-B2 Crystallized structure of estrogen related receptor gamma in complex with bisphenol A JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, LLC (US) 2010-02-02 — — US disclosed
WO-2009038684-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN IDEC MA INC. (US) 2009-03-26 — — WO disclosed
US-20060270836-A1 Peptide fragment comprising the Ligand Binding Domain (LBD) of ERR gamma in complex with Bisphenol A; used to design or select compounds which have an effect on ERR gamma activity; drug screening JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, LLC 2006-11-30 — — US disclosed
US-20060241093-A1 Use of DHEA derivatives for enhancing physical performance INTELLECTUAL WELLNESS, LLC 2006-10-26 — — US disclosed
US-6011027-A Use of 19-nor-4-androstenediol to increase 19-nortestosterone levels in humans LPJ RESEARCH, INC. (US) 2000-01-04 — — US disclosed
US-3959322-A Synthesis of 13-alkyl-gon-4-ones Smith, Herchel (US) 1976-05-25 — — 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 (4 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-20060241093-A1 Use of DHEA derivatives for enhancing physical performance SHBG, HSD11B1, HSD17B11 ESR1 1085/4885CHRM2 4376/4885SLC6A2 1559/4885
US-20240165245-A1 MULTIVALENT PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING SAME AR, SHBG, KLK3 ESR1 476/4885CHRM2 3825/4885SLC6A2 4654/4885
US-20110245216-A1 USE OF DHEA DERIVATIVES FOR ENHANCING PHYSICAL PERFORMANCE SHBG, HSD11B1, HSD17B11 ESR1 1085/4885CHRM2 4376/4885SLC6A2 1559/4885
US-11766480-B2 Multivalent peptoid oligomers, pharmaceutical compositions and methods of using same AR, SHBG, KLK3 ESR1 476/4885CHRM2 3825/4885SLC6A2 4654/4885

“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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