SCHEMBL651645

SCHEMBL651645

C/C=C(C(=C/C)/c1ccc(OC(C)=O)cc1)\c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
LMNA P02545 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ESR1 P03372 3/20 0.61
CYP3A4 P08684 3/20 0.61
HSD17B10 Q99714 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
TP53 P04637 2/20 0.61
GAA P10253 2/20 0.61
NR3C1 P04150 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
ALOX15 P16050 1/20 0.61
ALOX12 P18054 1/20 0.61
CYP2C19 P33261 1/20 0.61
OPRD1 P41143 1/20 0.61
HIF1A Q16665 1/20 0.61
ELANE P08246 4/20 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
SCHEMBL23457919 0.93 ELANE (0.60) MAPTLMNAMEN1KMT2AESR1
SCHEMBL4103121 0.93 ELANE (0.60) MAPTLMNAMEN1KMT2AESR1
SCHEMBL13057613 0.85 ELANE (0.71) MAPTLMNAMEN1KMT2AESR1
4-Acetoxyphenol SCHEMBL203149 0.84 LMNA (0.67) MAPTLMNAMEN1KMT2AESR1
4-Acetoxyphenol SCHEMBL27671868 0.82 LMNA (0.64) MAPTLMNAMEN1KMT2AESR1
4-Acetoxyphenol SCHEMBL27952470 0.82 LMNA (0.64) MAPTLMNAMEN1KMT2AESR1
SCHEMBL9735377 0.81 ELANE (0.56) MAPTLMNAMEN1KMT2AESR1
SCHEMBL14360729 0.81 ESR1 (0.60) MAPTLMNAMEN1KMT2AESR1
SCHEMBL9433106 0.81 ELANE (0.51) MAPTLMNAMEN1KMT2AESR1
SCHEMBL6853303 0.79 HSD17B10 (0.66) MAPTLMNAMEN1KMT2AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012022880-A2 METHOD FOR SYNTHESIZING STEROIDS UNIVERSITE DE STRASBOURG (FR) 2012-02-23 WO claimed
US-7388003-B2 Δ15-D-Homosteroids with androgenic action BAYER SCHERING PHARMA AG (DE) 2008-06-17 US claimed
US-20050131076-A1 Delta15-D-Homosteroids with androgenic action BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-06-16 US claimed
EP-0872467-B1 Process for the production of chiral unsaturated alcohols in high optical purity EASTMAN CHEM CO (US) 2003-01-22 EP claimed
EP-1000065-A4 PREPARATION OF OXYMORPHONE, OXYCODONE AND DERIVATIVES PENICK CORP (US) 2001-09-12 EP claimed
EP-1000065-A1 PREPARATION OF OXYMORPHONE, OXYCODONE AND DERIVATIVES Penick Corporation (US) 2000-05-17 EP claimed
EP-0741730-B1 1-SUBSTITUTED-4-FLUORO-1,4-DIAZONIABICYCLO 2.2.2]OCTANE SALTS AND THEIR APPLICATION AS FLUORINATING AGENTS ALLIED SIGNAL INC (US) 1999-10-06 EP claimed
US-5922876-A REACTING MORPHINE WITH ACYL HALIDE OR ANHYDRIDE TO FORM 3-ACYLMORPHINE, OXIDIZING HYDROXY GROUP OF ACYLMORPHINE WITH AN OXIDIZING AGENT, REACTING THE INTERMEDIATE WITH HYDROGEN PEROXIDE AND AN ACID, ACYLATING, HYDROGENATING AND HYDROLYSIS PENICK CORPORATION (US) 1999-07-13 US claimed
WO-1999002529-A1 PREPARATION OF OXYMORPHONE, OXYCODONE AND DERIVATIVES PENICK CORPORATION (US) 1999-01-21 WO claimed
EP-0872467-A1 Process for the production of chiral unsaturated alcohols in high optical purity EASTMAN CHEMICAL COMPANY (US) 1998-10-21 EP claimed
US-5606084-A Process of fluorinating organic compounds with 1-substituted-4-fluoro-1,4-diazoniabicyclo octane salts ALLIEDSIGNAL INC. (US) 1997-02-25 US claimed
EP-0741730-A1 1-SUBSTITUTED-4-FLUORO-1,4-DIAZONIABICYCLO 2.2.2]OCTANE SALTS AND THEIR APPLICATION AS FLUORINATING AGENTS AlliedSignal Inc. (US) 1996-11-13 EP claimed
WO-1995017404-A1 1-SUBSTITUTED-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE SALTS AND THEIR APPLICATION AS FLUORINATING AGENTS ALLIEDSIGNAL, INC. (US) 1995-06-29 WO claimed
EP-0159823-B1 PREPARATION OF 14-HYDROXY-N-ETHOXY-CARBONYL-NORCODEINONE Mallinckrodt, Inc. (a Delaware corporation) (US) 1989-08-09 EP claimed
US-4639520-A Preparation of 14-hydroxy-N-ethoxy-carbonyl-norcodeinone MALLINCKRODT, INC. (US) 1987-01-27 US claimed
EP-0159823-A1 Preparation of 14-Hydroxy-N-Ethoxy-Carbonyl-Norcodeinone Mallinckrodt, Inc. (a Delaware corporation) (US) 1985-10-30 EP claimed
EP-0158476-A1 Preparation of noroxymorphone from morphine Mallinckrodt, Inc. (a Delaware corporation) (US) 1985-10-16 EP claimed
JP-62029545-A None JP disclosed
US-4055575-A HYDROGENATION, SAPONIFICATION SCM CORPORATION (US) 1977-10-25 US disclosed
US-4039591-A 1-ACETOXY-4-CHLORO-3-METHYLBUT-2-ENE SCM CORPORATION (US) 1977-08-02 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-20050131076-A1 Delta15-D-Homosteroids with androgenic action CYP17A1, HSD3B2, HSD3B1 MAPT 3358/4885LMNA 2308/4885MEN1 666/4885

“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.