SCHEMBL6580321

SCHEMBL6580321

Cc1cccc(CCC(=O)O)c1O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
IAPP P10997 4/20 0.51
PTGER4 P35408 3/20 0.50
PTGER3 P43115 3/20 0.50
PTGER2 P43116 3/20 0.50
PTGER1 P34995 2/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
FFAR1 O14842 3/20 0.46
PARP1 P09874 1/20 0.44
KEAP1 Q14145 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL1450886 0.83 NPSR1 (0.57) NPSR1PTGER4PTGER3PTGER2PTGER1
SCHEMBL30873948 0.83 NPSR1 (0.57) NPSR1PTGER4PTGER3PTGER2PTGER1
SCHEMBL323867 0.82 NPSR1 (0.61) NPSR1PTGER4PTGER3PTGER2PTGER1
SCHEMBL29843936 0.82 NPSR1 (0.61) NPSR1PTGER4PTGER3PTGER2PTGER1
SCHEMBL11125140 0.81 FFAR1 (0.49) NPSR1IAPPPTGER4PTGER3PTGER2
SCHEMBL5106925 0.81 PTGS2 (0.56) PTGER4PTGER3PTGER2PTGER1ALDH1A1
SCHEMBL244943 0.81 IAPP (0.70) NPSR1IAPPPTGER4PTGER3PTGER2
SCHEMBL29430565 0.81 PTGS2 (0.56) PTGER4PTGER3PTGER2PTGER1ALDH1A1
Water SCHEMBL10936872 0.81 NPSR1 (0.59) NPSR1PTGER4PTGER3PTGER2PTGER1
SCHEMBL30485631 0.81 IAPP (0.70) NPSR1IAPPPTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661901-B1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS EASTMAN CHEM CO (US) 2023-12-06 EP disclosed
US-10266467-B2 Synthesis of glycols via transfer hydrogenation of alpha-functional esters with alcohols EASTMAN CHEMICAL COMPANY (US) 2019-04-23 US disclosed
US-20190039978-A1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS EASTMAN CHEMICAL COMPANY (US) 2019-02-07 US disclosed
EP-1448514-A1 NOVEL ALPHA-OXYGENATED OR ALPHA-THIOLATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES Syngenta Participations AG (CH) 2004-08-25 EP disclosed
WO-2003042168-A1 NOVEL α-OXYGENATED OR α-THIOLATED CARBOXYLIC ACID PHENETHYLAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 WO 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-20190039978-A1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS ADH1A, ADH1C, ADH5 NPSR1 4144/4885IAPP 2444/4885PTGER4 667/4885
US-10266467-B2 Synthesis of glycols via transfer hydrogenation of alpha-functional esters with alcohols ADH1A, ADH1C, ADH5 NPSR1 4144/4885IAPP 2444/4885PTGER4 667/4885

“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.