SCHEMBL147038

SCHEMBL147038

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 14/20 0.78
ESR1 P03372 2/20 0.67
CYP3A4 P08684 2/20 0.67
ESR2 Q92731 2/20 0.67
SLC22A2 O15244 1/20 0.67
NR1I2 O75469 1/20 0.67
ABCB11 O95342 1/20 0.67
NR3C1 P04150 1/20 0.67
SHBG P04278 1/20 0.67
PGR P06401 1/20 0.67
HTR1A P08908 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
AR P10275 1/20 0.67
ADRB3 P13945 1/20 0.67
CYP2B6 P20813 1/20 0.67
TBXA2R P21731 1/20 0.67
UGT1A1 P22309 1/20 0.67
SLC6A2 P23975 1/20 0.67
PDE4A P27815 1/20 0.67
ADORA2A P29274 1/20 0.67

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
SCHEMBL27488647 0.92 STS (0.78) STSESR1CYP3A4ESR2SLC22A2
SCHEMBL9404855 0.90 STS (0.75) STSESR1CYP3A4ESR2SLC22A2
SCHEMBL15228405 0.88 STS (0.60) STSESR1ESR2MEN1KMT2A
SCHEMBL9404747 0.88 STS (0.78) STSESR1CYP3A4ESR2SLC22A2
SCHEMBL4903619 0.88 STS (1.00) STSESR1CYP3A4ESR2SLC22A2
SCHEMBL4903623 0.88 STS (1.00) STSESR1CYP3A4ESR2SLC22A2
SCHEMBL486651 0.87 STS (0.79) STSESR1CYP3A4ESR2SLC22A2
SCHEMBL14515129 0.87 STS (0.85) STSESR1CYP3A4ESR2SLC22A2
SCHEMBL2517116 0.87 STS (0.61) STSESR1CYP3A4ESR2SLC22A2
SCHEMBL31508217 0.85 STS (0.81) STSESR1CYP3A4ESR2SLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190269616-A1 STERILE PARENTERAL SUSPENSIONS EMCURE PHARMACEUTICALS LIMITED (IN) 2019-09-05 US claimed
EP-3386483-A1 STERILE PARENTERAL SUSPENSIONS Emcure Pharmaceuticals Limited (IN) 2018-10-17 EP claimed
WO-2017098392-A1 STERILE PARENTERAL SUSPENSIONS EMCURE PHARMACEUTICALS LIMITED (IN) 2017-06-15 WO claimed
US-20170087099-A1 TRANSDERMAL SYSTEMS CONTAINING MULTILAYER ADHESIVE MATRICES TO MODIFY DRUG DELIVERY MYLAN TECH INC (US) 2017-03-30 US claimed
US-20070287688-A1 Pharmaceutical Compositions for Topical Application MACRO CHEM CORPORATION 2007-12-13 US claimed
WO-2007117352-A2 TOPICAL THERAPEUTIC DELIVERY SYSTEM MURAD HOWARD (US) 2007-10-18 WO claimed
EP-1648364-A2 PHARMACEUTICAL COMPOSITIONS FOR TOPICAL APPLICATION MacroChem Corporation (US) 2006-04-26 EP claimed
WO-2005007100-A2 PHARMACEUTICAL COMPOSITIONS FOR TOPICAL APPLICATION MACROCHEM CORPORATION (US) 2005-01-27 WO claimed
EP-0269696-B1 TRANSDERMAL ABSORPTION DOSAGE UNIT FOR ESTRADIOL AND OTHER ESTROGENIC STEROIDS UNIV RUTGERS (US) 1994-08-03 EP claimed
US-3962430-A Sterilization of solid non-electrolyte medicinal agents employing sodium chloride MERCK & CO., INC. (US) 1976-06-08 US claimed
US-20230057790-A1 INJECTABLE CONTROLLED-RELEASE FORMULATIONS OF PROGESTOGEN DRUGS FORDOZ PHARMA CORP. (US) 2023-02-23 US disclosed
CN-115605187-A Injectable controlled release formulation loaded with progestagen drug 福多兹制药公司(US) 2023-01-13 CN disclosed
CN-109475138-B Multifunctional structured glycidol/non-glycidol materials 美国AAK公司 2022-12-06 CN disclosed
CN-114522152-A Use of antistatic materials in airways for hot aerosol condensation processes 艾利斯达医药品公司 2022-05-24 CN disclosed
CN-114522307-A Use of antistatic materials in airways for hot aerosol condensation processes 艾利斯达医药品公司 2022-05-24 CN disclosed
EP-0275716-A1 Transdermal estrogen/progestin dosage unit, and fertility control kit comprising said dosage unit. RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1988-07-27 EP disclosed
EP-0269696-A1 TRANSDERMAL ABSORPTION DOSAGE UNIT FOR ESTRADIOL AND OTHER ESTROGENIC STEROIDS. UNIV NEW JERSEY (US) 1988-06-08 EP disclosed
WO-1988001496-A1 TRANSDERMAL FERTILITY CONTROL SYSTEM AND PROCESS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1988-03-10 WO disclosed
WO-1987007138-A1 TRANSDERMAL ABSORPTION DOSAGE UNIT FOR ESTRADIOL AND OTHER ESTROGENIC STEROIDS AND PROCESS FOR ADMINISTRATION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1987-12-03 WO disclosed
US-3962430-A Sterilization of solid non-electrolyte medicinal agents employing sodium chloride MERCK & CO., INC. (US) 1976-06-08 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 (1 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-20070287688-A1 Pharmaceutical Compositions for Topical Application CYP8B1, NR1H3, NR1H2 STS 1000/4885ESR1 1994/4885CYP3A4 174/4885

“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.