SCHEMBL194231

SCHEMBL194231

C[C@]12CC[C@@H]3c4ccc(OO)cc4CC[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.81
LMNA P02545 2/20 0.81
MAPT P10636 2/20 0.81
RECQL P46063 1/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
STS P08842 9/20 0.78
ABCC4 O15439 1/20 0.78
CYP2C9 P11712 1/20 0.78
ABCC1 P33527 1/20 0.78
SLCO1B1 Q9Y6L6 1/20 0.78
CYP3A4 P08684 3/20 0.74
ESR1 P03372 3/20 0.74
CA1 P00915 3/20 0.74
CA2 P00918 3/20 0.74
CA9 Q16790 3/20 0.74
CYP19A1 P11511 3/20 0.74
ESR2 Q92731 2/20 0.74
KDM4E B2RXH2 2/20 0.74
CA4 P22748 1/20 0.74
CA6 P23280 1/20 0.74

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
SCHEMBL27862478 0.92 HSD17B1 (0.83) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6684274 0.91 HSD17B1 (0.84) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5677806 0.89 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL12441050 0.89 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL4570835 0.89 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL10079402 0.89 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL18658723 0.89 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL959954 0.89 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL15308964 0.89 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5682139 0.89 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; 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 142 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4288539-A1 COMPOSITIONS AND METHODS FOR TREATING DISEASE ASSOCIATED WITH DUX4 OVEREXPRESSION Research Institute at Nationwide Children's Hospital (US) 2023-12-13 EP claimed
WO-2023178288-A1 COMPANION DIAGNOSTICS AND STRATEGIES FOR TREATMENT WITH AN ARYL HYDROCARBON RECEPTOR AGONIST COMPOUND AZORA THERAPEUTICS, INC. (US) 2023-09-21 WO claimed
WO-2022082183-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF INFLAMMATORY AND METABOLIC DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 WO claimed
EP-3501543-A1 METHOD FOR MANUFACTURING VAGINAL DRUG DELIVERY SYSTEMS USING A THREE DIMENSIONAL PRINTER Delim Cosmetics & Pharma S.r.l. (IT) 2019-06-26 EP claimed
US-20160279043-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS DENTALMED PHARM HOLDING LTD. (BE) 2016-09-29 US claimed
US-20100312137-A1 Ovulation Cycle Monitoring and Management GILMOUR ROBERT 2010-12-09 US claimed
US-20100119595-A1 Monounsaturated fatty acids and perhydrocyclopentanophenanthrene nucleus combination molecules, and their precursors, and the use of all of these as weight-loss agents GIROUARD MICHAEL P 2010-05-13 US claimed
US-20090169526-A1 BMP-6 ESTROGEN RESPONSIVE ELEMENT AND METHODS OF USE THEREOF WYETH 2009-07-02 US claimed
EP-1812111-A2 METHODS OF USING FATTY-ACID ESTERS OF ESTROGENS AND THERMOGENIC COMPOUNDS FOR REDUCING THE BODY WEIGHT OF A MAMMAL AND COMPOSITIONS CONTAINING THE SAME Oleoyl-Estrone Developments SL (ES) 2007-08-01 EP claimed
US-20070042040-A1 Methods and compositions using gonadotropin hormone releasing hormone DEBIOPHARM S.A. (CH) 2007-02-22 US claimed
CN-1780634-A Methods and compositions using gonadotropin hormone releasing hormone DEBIOPHARM SA (CH) 2006-05-31 CN claimed
EP-1594481-A4 MONOUNSATURATED FATTY ACIDS AND PERHYDROCYCLOPENTANOPHENANTHRENE NUCLEUS COMBINATION MOLECULES, AND THEIR PRECURSORS, AND THE USE OF ALL OF THESE AS WEIGHT-LOSS AGENTS GIROUARD MICHAEL P (US) 2006-05-17 EP claimed
WO-2006042733-A2 METHODS OF USING FATTY-ACID ESTERS OF ESTROGENS AND THERMOGENIC COMPOUNDS FOR REDUCING THE BODY WEIGHT OF A MAMMAL AND COMPOSITIONS CONTAINING THE SAME OLEOYL-ESTRONE DEVELOPMENTS, S.L. (ES) 2006-04-27 WO claimed
US-20060084637-A1 Methods of using fatty-acid esters of estrogens and thermogenic compounds for reducing the body weight of a mammal and compositions containing the same OLEOYL-ESTRONE DEVELOPMENTS SL (ES) 2006-04-20 US claimed
EP-1617859-A1 METHODS AND COMPOSITIONS USING GONADOTROPIN HORMONE RELEASING HORMONE DEBIOPHARM S.A. (CH) 2006-01-25 EP claimed
US-20050272678-A1 BMP-6 estrogen responsive element and methods of use thereof WYETH 2005-12-08 US claimed
EP-1594481-A2 MONOUNSATURATED FATTY ACIDS AND PERHYDROCYCLOPENTANOPHENANTHRENE NUCLEUS COMBINATION MOLECULES, AND THEIR PRECURSORS, AND THE USE OF ALL OF THESE AS WEIGHT-LOSS AGENTS Girouard, Michael P. (US) 2005-11-16 EP claimed
WO-2004096259-A1 METHODS AND COMPOSITIONS USING GONADOTROPIN HORMONE RELEASING HORMONE DEBIOPHARM S.A. (CH) 2004-11-11 WO claimed
US-20040157816-A1 Monounsaturated fatty acids and perhydrocyclopentanophenanthrene nucleus combination molecules, and their precursors, and the use of all of these as weight-loss agents GIROUARD MICHAEL P (US) 2004-08-12 US claimed
WO-2004045560-A2 COMBINATION OF MONOUNSATURATED FATTY ACIDS AND ESTOGEN, AND THEIR USE GIROUARD MICHAEL P (US) 2004-06-03 WO 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 (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-20060084637-A1 Methods of using fatty-acid esters of estrogens and thermogenic compounds for reducing the body weight of a mammal and compositions containing the same CYP19A1, ELOVL3, ELOVL1 HSD17B1 32/4885LMNA 2276/4885MAPT 3959/4885
US-20160279043-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS SIRT3, NNT, SIRT1 HSD17B1 3566/4885LMNA 4322/4885MAPT 3459/4885

“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.