SCHEMBL1982297

SCHEMBL1982297

CCCCC(O)CC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.52
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
BIRC2 Q13490 1/20 0.41
NFKB1 P19838 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
POLA1 P09884 1/20 0.38
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3251811 1.00 GPR84 (0.52) GPR84CA1CA2L3MBTL1FFAR4
SCHEMBL27348664 1.00 GPR84 (0.52) GPR84CA1CA2L3MBTL1FFAR4
SCHEMBL29179037 0.94 GPR84 (0.60) GPR84L3MBTL1FFAR4FFAR1BIRC2
SCHEMBL9319687 0.94 GPR84 (0.60) GPR84L3MBTL1FFAR4FFAR1BIRC2
SCHEMBL1427581 0.94 GPR84 (0.60) GPR84L3MBTL1FFAR4FFAR1BIRC2
SCHEMBL7603091 0.92 GPR84 (0.63) GPR84L3MBTL1FFAR4FFAR1BIRC2
SCHEMBL7599552 0.92 GPR84 (0.63) GPR84L3MBTL1FFAR4FFAR1BIRC2
SCHEMBL1271079 0.92 GPR84 (0.63) GPR84L3MBTL1FFAR4FFAR1BIRC2
SCHEMBL7599878 0.92 GPR84 (0.63) GPR84L3MBTL1FFAR4FFAR1BIRC2
3-Hydroxyhexadecanoic Acid Methyl Ester SCHEMBL1901941 0.92 GPR84 (0.63) GPR84L3MBTL1FFAR4FFAR1BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10993464-B2 Thiols as flavoring ingredient FIRMENICH SA (CH) 2021-05-04 US disclosed
EP-3511419-A1 COMPOUND OR SALT THEREOF, ANTI-INFLAMMATORY AGENT, ANTICANCER AGENT FOR LUNG CANCER, METHOD FOR PRODUCING COMPOUND OR SALT THEREOF, METHOD FOR TREATING INFLAMMATORY DISEASE, AND METHOD FOR TREATING LUNG CANCER TFK Co., Ltd (JP) 2019-07-17 EP disclosed
US-20180055077-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2018-03-01 US disclosed
EP-1885726-B1 ORTHO-CONDENSED 2-PYRIDINONE DERIVATIVES AS NICOTINIC ACID RECEPTOR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA MERCK SHARP & DOHME (US) 2016-12-14 EP disclosed
EP-2059519-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2013-12-18 EP disclosed
US-20130295229-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2013-11-07 US disclosed
US-20110152259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PALANI ANANDAN 2011-06-23 US disclosed
US-20100303988-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA 2010-12-02 US disclosed
US-20100227873-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-09-09 US disclosed
EP-1882027-B1 THIOLS AS FLAVORING INGREDIENT FIRMENICH & CIE (CH) 2010-07-21 EP disclosed
WO-2006124490-A2 HETEROCYCLES AS NICOTINIC ACID RECEPTOR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA SCHERING CORPORATION (US) 2006-11-23 WO disclosed
WO-2006120625-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2006-11-16 WO disclosed
EP-1509225-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS Wyeth (US) 2005-03-02 EP disclosed
US-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2004-04-29 US disclosed
WO-2003099275-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2003-12-04 WO disclosed
EP-0856510-B1 Optically active ceramides and process for producing the same TAKASAGO PERFUMERY CO LTD (JP) 2002-12-11 EP disclosed
WO-2001055436-A1 MEDIUM CHAIN LENGTH PHA COPOLYMER AND PROCESS FOR PRODUCING SAME THE PROCTER & GAMBLE COMPANY (US) 2001-08-02 WO disclosed
US-6225438-B1 AS SURGICAL THREAD OR BONE SETTING MATERIALS, HYGIENIC ARTICLES SUCH AS DIAPERS OR SANITARY ARTICLES, AGRICULTURAL OR HORTICULTURAL MATERIALS SUCH AS MULTI FILMS, SLOW RELEASE CHEMICALS, FISHING NETS AND PACKAGING; BIODEGRADABILITY THE PROCTER & GAMBLE COMPANY 2001-05-01 US disclosed
US-5998668-A Optically active compound and process for producing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-12-07 US disclosed
EP-0856510-A1 Optically active ceramides and process for producing the same Takasago International Corporation (JP) 1998-08-05 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 (5 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-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus HAVCR2, HCCS, ZC3HAV1 GPR84 2156/4885CA1 3221/4885CA2 4572/4885
US-20110152259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 GPR84 4243/4885CA1 912/4885CA2 1682/4885
US-10993464-B2 Thiols as flavoring ingredient TAS1R3, TMT1A, TST GPR84 4218/4885CA1 2126/4885CA2 3347/4885
US-20180055077-A1 THIOLS AS FLAVORING INGREDIENT TAS1R3, TMT1A, TST GPR84 4218/4885CA1 2126/4885CA2 3347/4885
US-20100227873-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 GPR84 4243/4885CA1 912/4885CA2 1682/4885

“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.