SCHEMBL2127451

SCHEMBL2127451

CCc1ccc(OCOC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HSP90AA1 P07900 1/20 0.45
NQO1 P15559 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SOD1 P00441 1/20 0.43
KMT2A Q03164 1/20 0.42
CYP2A6 P11509 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAOB P27338 1/20 0.39
FKBP1A P62942 1/20 0.39

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
SCHEMBL9509270 0.90 CYP2A6 (0.44) SMN1; SMN2LMNAALDH1A1MAPTHPGD
SCHEMBL3589633 0.85 NQO1 (0.50) MAPTNQO1TDP1MAOB
SCHEMBL25986811 0.84 LTA4H (0.50) SMN1; SMN2LMNAALDH1A1NQO1L3MBTL1
SCHEMBL2128463 0.83 ALDH1A1 (0.47) LMNAALDH1A1NPC1NQO1L3MBTL1
SCHEMBL27387850 0.82 CYP1A2 (0.52) SMN1; SMN2LMNAALDH1A1MAPTNPC1
SCHEMBL14341660 0.82 APP (0.47) SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL27504104 0.82 NQO1 (0.50) SMN1; SMN2LMNAALDH1A1MAPTHPGD
SCHEMBL6160052 0.80 FYN (0.47) SMN1; SMN2NPC1RAB9ANQO1KMT2A
SCHEMBL3473670 0.80 APP (0.37) SMN1; SMN2LMNAALDH1A1MAPTHPGD
SCHEMBL7855924 0.80 APP (0.37) SMN1; SMN2ALDH1A1NPC1RAB9ANQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390731-A1 MANIPULATION OF THE RETINOIC ACID SIGNALING PATHWAY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-12-17 US disclosed
US-10838303-B2 Resist underlayer film forming composition for lithography containing hydrolyzable silane having carbonate skeleton NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-11-17 US disclosed
EP-3222688-A1 FILM-FORMING COMPOSITION CONTAINING CROSSLINKABLE REACTIVE SILICONE Nissan Chemical Industries, Ltd. (JP) 2017-09-27 EP disclosed
US-9449732-B2 Charge transport film, method for producing the same, and light-emitting element and photoelectric conversion element using the same FUJIFILM CORPORATION (JP) 2016-09-20 US disclosed
CN-102471355-B Diphenyl sulfide derivatives and drugs containing the same as the active ingredient KYORIN PHARMACEUTICAL CO.,LTD. (JP) 2015-10-07 CN disclosed
EP-2452944-B1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING THEM AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2014-09-10 EP disclosed
US-8569270-B2 Diphenyl sulfide derivatives and medicines containing same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-20120238774-A1 CHARGE TRANSPORT FILM, METHOD FOR PRODUCING THE SAME, AND LIGHT-EMITTING ELEMENT AND PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME FUJIFILM CORPORATION (JP) 2012-09-20 US disclosed
CN-102471355-A Diphenyl sulfide derivatives and drugs containing the same as the active ingredient KYORIN SEIYAKU KK 2012-05-23 CN disclosed
EP-2452944-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-7160667-B2 Novolak phenolic resin, quaternary heterocyclic amine, and -onium or ammonium photo-thermal converting agents; positive planographic printing plate precursor; storage stability FUJI PHOTO FILM CO., LTD. (JP) 2007-01-09 US disclosed
US-5716971-A FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0623597-B1 Pyridine derivatives, with potassium channel opening activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-22 EP disclosed
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 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-20120238774-A1 CHARGE TRANSPORT FILM, METHOD FOR PRODUCING THE SAME, AND LIGHT-EMITTING ELEMENT AND PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME PCTP, CDH1, PLTP SMN1; SMN2 4249/4885LMNA 1221/4885ALDH1A1 4057/4885
US-20200390731-A1 MANIPULATION OF THE RETINOIC ACID SIGNALING PATHWAY RARB, RARA, RARG SMN1; SMN2 1958/4885LMNA 1684/4885ALDH1A1 952/4885

“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.