SCHEMBL2018468

SCHEMBL2018468

CCCCCCCCC[CH]C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
EP300 Q09472 1/20 0.45
TSHR P16473 1/20 0.44
TERT O14746 3/20 0.44
PTPN1 P18031 3/20 0.44
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
CYP1A2 P05177 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C19 P33261 2/20 0.44
BLM P54132 2/20 0.44
HSD17B10 Q99714 2/20 0.44
FABP4 P15090 2/20 0.44
FAAH O00519 2/20 0.44
KMT2A Q03164 2/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL5078165 1.00 EPHX1 (0.45) EPHX1EP300TSHRTERTPTPN1
SCHEMBL8744318 1.00 EPHX1 (0.45) EPHX1EP300TSHRTERTPTPN1
SCHEMBL8744392 1.00 EPHX1 (0.45) EPHX1EP300TSHRTERTPTPN1
SCHEMBL2167450 1.00 EPHX1 (0.45) EPHX1EP300TSHRTERTPTPN1
SCHEMBL8744391 1.00 EPHX1 (0.45) EPHX1EP300TSHRTERTPTPN1
SCHEMBL8544644 1.00 EPHX1 (0.45) EPHX1EP300TSHRTERTPTPN1
SCHEMBL127722 0.98 EPHX1 (0.42) EPHX1EP300TSHRTERTPTPN1
SCHEMBL127597 0.91
SCHEMBL128030 0.81
SCHEMBL23924683 0.81 FAAH (0.51) EP300TSHRTERTPTPN1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO claimed
EP-2243805-B1 ANTHRAPYRIDONE COMPOUND OR SALT THEREOF, MAGENTA INK COMPOSITION CONTAINING THE ANTHRAPYRIDONE COMPOUND, AND COLORED BODY NIPPON KAYAKU KK (JP) 2014-11-26 EP disclosed
EP-2341108-B1 Surface treatment method for solid material SHINETSU CHEMICAL CO (JP) 2014-07-02 EP disclosed
US-8541631-B2 Surface treatment method for solid material SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-09-24 US disclosed
US-7985287-B2 Anthrapyridone compound or a salt thereof, magenta ink composition containing the anthrapyridone compound and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed
EP-2341108-A1 Surface treatment method for solid material Shin-Etsu Chemical Co., Ltd. (JP) 2011-07-06 EP disclosed
US-20110160464-A1 SURFACE TREATMENT METHOD FOR SOLID MATERIAL SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-06-30 US disclosed
US-20100291360-A1 Anthrapyridone Compound Or A Salt Thereof, Magenta Ink Composition Containing The Anthrapyridone Compound and Colored Product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-11-18 US disclosed
EP-2243805-A1 ANTHRAPYRIDONE COMPOUND OR SALT THEREOF, MAGENTA INK COMPOSITION CONTAINING THE ANTHRAPYRIDONE COMPOUND, AND COLORED BODY Nippon Kayaku Kabushiki Kaisha (JP) 2010-10-27 EP disclosed
US-7322927-B2 Hybrid phthalocyanine derivatives and their uses BIOSITE, INC. (US) 2008-01-29 US disclosed
US-6251687-B1 PARTICLE CONTAINING ENERGY DONOR AND ENERGY ACCEPTOR BIOSITE DIAGNOSTICS, INC. 2001-06-26 US disclosed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP disclosed
US-5462965-A Use of heterocyclic amino-alcohol compounds for treatment of CNS diseases GD SEARLE & CO. (US) 1995-10-31 US disclosed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 EP disclosed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO disclosed
US-4758637-A Silicone-modified polyester resin and silicone-sheathed polyester fibers made therefrom UNION CARBIDE CORPORATION (US) 1988-07-19 US disclosed
EP-0269023-A2 Silicone-modified polyester resin and silicone-sheathed polyester fibers made therefrom UNION CARBIDE CORPORATION (US) 1988-06-01 EP disclosed
US-4510159-A (+)-Cyanidan-3-ol derivatives, pharmaceutical preparations that contain such compounds, and the use of the latter to treat liver or venous diseases ZYMA SA (CH) 1985-04-09 US disclosed
EP-0096008-A2 (+)-Cyanidan-3-ol derivatives, processes for their manufacture, pharmaceutical preparations that contain such compounds, and the use of the latter Zyma SA (CH) 1983-12-07 EP 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 (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-20110160464-A1 SURFACE TREATMENT METHOD FOR SOLID MATERIAL H1-2, H1-0, HRH3 EPHX1 4140/4885EP300 482/4885TSHR 814/4885
US-20100291360-A1 Anthrapyridone Compound Or A Salt Thereof, Magenta Ink Composition Containing The Anthrapyridone Compound and Colored Product MLLT3, MLLT1, H1-3 EPHX1 3796/4885EP300 438/4885TSHR 3602/4885

“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.