SCHEMBL4468616

SCHEMBL4468616

C#CCC(=O)OC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
NAAA Q02083 2/20 0.49
HTT P42858 2/20 0.47
CYP19A1 P11511 2/20 0.45
EPHX1 P07099 2/20 0.44
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
MIF P14174 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL5357978 0.82 CYP2C19 (0.49) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL5348431 0.79 NAAA (0.46) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL24089841 0.78 NAAA (0.45) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL7568980 0.78 NAAA (0.66) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL17920350 0.78 CYP2C19 (0.57) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL242936 0.78 CYP2C19 (0.57) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL258780 0.78 NAAA (0.66) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL31069913 0.78 NAAA (0.66) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL4672313 0.76 CYP2C19 (0.55) CYP2C19NAAAHTTCYP19A1EPHX1
SCHEMBL2255784 0.76 CYP2C19 (0.55) CYP2C19NAAAHTTCYP19A1EPHX1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116018334-A Process for preparing 3- (cyclohex-1-en-1-yl) propanal derivatives 弗门尼舍有限公司 2023-04-25 CN claimed
EP-2021520-A1 PROCESS FOR PRODUCING STABILISED METAL NANOPARTICLES Johnson Matthey Public Limited Company (GB) 2009-02-11 EP claimed
WO-2007138345-A1 PROCESS FOR PRODUCING STABILISED METAL NANOPARTICLES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2007-12-06 WO claimed
CN-116525945-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2023-08-01 CN disclosed
CN-116018334-A Process for preparing 3- (cyclohex-1-en-1-yl) propanal derivatives 弗门尼舍有限公司 2023-04-25 CN disclosed
WO-2011018417-A1 INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2011-02-17 WO disclosed
EP-2021520-A1 PROCESS FOR PRODUCING STABILISED METAL NANOPARTICLES Johnson Matthey Public Limited Company (GB) 2009-02-11 EP disclosed
US-20080221003-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-09-11 US disclosed
US-20080207481-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 US disclosed
US-20080207476-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 US disclosed
WO-2007138345-A1 PROCESS FOR PRODUCING STABILISED METAL NANOPARTICLES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2007-12-06 WO disclosed
EP-1707185-A1 Solvent materials and methods for preparing fragrance compositions INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2006-10-04 EP disclosed
EP-0994177-A2 Multifunctional and/or multi-aroma imparting, multisectional, multiwick candles; kits for preparing same; processes for preparing same and processes for using same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2000-04-19 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 (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-20080207476-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES DSC1, DSG1, PIEZO1 CYP2C19 3072/4885NAAA 1626/4885HTT 4042/4885

“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.