SCHEMBL9766541

SCHEMBL9766541

O=S(=O)(O)c1ccc(-c2cc(S(=O)(=O)O)ccc2-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PTGS2 P35354 7/20 0.52
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
HDAC6 Q9UBN7 1/20 0.45
SNCA P37840 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9766558 1.00 TSHR (0.54) TSHRSMN1; SMN2PTGS2POLBCYP2D6
SCHEMBL5305256 0.96 TSHR (0.52) TSHRSMN1; SMN2PTGS2POLBCYP2D6
SCHEMBL11293217 0.92 LMNA (0.48) TSHRSMN1; SMN2PTGS2POLBCYP2D6
SCHEMBL9766560 0.89 TSHR (0.50) TSHRSMN1; SMN2PTGS2POLBCYP2D6
SCHEMBL8602839 0.89 ALDH1A1 (0.47) TSHRSMN1; SMN2PTGS2HDAC6CA12
SCHEMBL8597478 0.88 PTGS2 (0.64) TSHRSMN1; SMN2PTGS2POLBCYP2D6
SCHEMBL25616078 0.85 SMN1; SMN2 (0.46) TSHRSMN1; SMN2PTGS2POLBCYP2D6
SCHEMBL25613460 0.85 SMN1; SMN2 (0.46) TSHRSMN1; SMN2PTGS2POLBCYP2D6
SCHEMBL6053296 0.85 ALOX5 (0.55) TSHRSMN1; SMN2PTGS2POLBCYP2D6
SCHEMBL25868039 0.84 TSHR (0.44) TSHRSMN1; SMN2PTGS2POLBCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5008472-A Preparation of 4,4\"-dihydroxyterphenyl BASF AKTIENGESELLSCHAFT (DE) 1991-04-16 US claimed
JP-2121939-A None JP disclosed
US-20170073287-A1 PROCESS FOR THE MANUFACTURE OF TERPHENYL COMPOUNDS SOLVAY SPECIALTY POLYMERS USA, LLC (US) 2017-03-16 US disclosed
EP-3131868-A1 Process for the manufacture of terphenyl compounds Solvay Specialty Polymers USA, L.L.C. (US) 2017-02-22 EP disclosed
US-20170036978-A1 PROCESS FOR THE MANUFACTURE OF TERPHENYL COMPOUNDS SOLVAY SPECIALTY POLYMERS USA, LLC (US) 2017-02-09 US disclosed
EP-3116846-A1 PROCESS FOR THE MANUFACTURE OF TERPHENYL COMPOUNDS Solvay Specialty Polymers USA, LLC. (US) 2017-01-18 EP disclosed
WO-2015158580-A1 Process for the manufacture of terphenyl compounds SOLVAY SPECIALTY POLYMERS USA, LLC (US) 2015-10-22 WO disclosed
WO-2015136015-A1 PROCESS FOR THE MANUFACTURE OF TERPHENYL COMPOUNDS SOLVAY SPECIALTY POLYMERS USA, LLC (US) 2015-09-17 WO disclosed
US-5008472-A Preparation of 4,4\"-dihydroxyterphenyl BASF AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed
JP-H02121939-A PRODUCTION OF 4,4\"-DHIHYDROXYTERPHENYL BASF AG 1990-05-09 JP disclosed
EP-0360092-A1 Process for preparing 4,4\"-dihydroxyterphenyl BASF Aktiengesellschaft (DE) 1990-03-28 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-20170036978-A1 PROCESS FOR THE MANUFACTURE OF TERPHENYL COMPOUNDS ALK, PIK3C3, ITK TSHR 217/4885SMN1; SMN2 4214/4885PTGS2 2854/4885
US-20170073287-A1 PROCESS FOR THE MANUFACTURE OF TERPHENYL COMPOUNDS C9, C5, TECR TSHR 39/4885SMN1; SMN2 4461/4885PTGS2 2285/4885

“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.