SCHEMBL3698920

SCHEMBL3698920

O=S(=O)([O-])C1CCCc2ccccc21.O=S(=O)([O-])C1CCCc2ccccc21.O=S(=O)([O-])C1CCCc2ccccc21.[Fe+3]

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.49
IDO1 P14902 2/20 0.49
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
BLM P54132 1/20 0.42
TSHR P16473 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PTPN7 P35236 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40

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
Zinc Ion SCHEMBL4882957 0.97 HTR6 (0.49) HTR6IDO1ALDH1A1HTTCYP1A2
SCHEMBL4887484 0.97 HTR6 (0.49) HTR6IDO1ALDH1A1HTTCYP1A2
SCHEMBL4887971 0.97 HTR6 (0.49) HTR6IDO1ALDH1A1HTTCYP1A2
SCHEMBL3004774 0.97 HTR6 (0.49) HTR6IDO1ALDH1A1HTTCYP1A2
SCHEMBL4885963 0.97 HTR6 (0.49) HTR6IDO1ALDH1A1HTTCYP1A2
Phenolsulphonic Acid SCHEMBL11592775 0.82 LMNA (0.40) HTR6ALDH1A1HTTCYP1A2BLM
SCHEMBL11082095 0.82 HTR6 (0.47) HTR6IDO1ALDH1A1HTTCYP1A2
SCHEMBL9441442 0.81 HTR6 (0.46) HTR6IDO1ALDH1A1HTTCYP1A2
SCHEMBL1793811 0.81 HTR6 (0.46) HTR6IDO1ALDH1A1HTTCYP1A2
SCHEMBL29617530 0.81 IDO1 (0.50) HTR6IDO1ALDH1A1HTTCYP1A2

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
US-9039936-B2 Thiophene derivative, method for producing same, and polymer of thiophene derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-05-26 US disclosed
US-8197886-B2 oxidization polymerization of 3,4-ethylenedioxythiophene in solutions containing metal salt of naphthalenesulfonic acid and tetralinsulfonic acid as oxidizers, to form polyethylenedioxythiophene, used as a polyelectrolyte allowing capacitors with a low electrical resistance and high heat resistance SANYO ELECTRIC CO., LTD. (JP) 2012-06-12 US disclosed
EP-2457909-A1 THIOPHENE DERIVATIVE, METHOD FOR PRODUCING SAME, AND POLYMER OF THIOPHENE DERIVATIVE Tokyo Institute of Technology (JP) 2012-05-30 EP disclosed
US-20120119157-A1 THIOPHENE DERIVATIVE, METHOD FOR PRODUCING SAME, AND POLYMER OF THIOPHENE DERIVATIVE KURARAY CO., LTD. (JP) 2012-05-17 US disclosed
US-20080224090-A1 METHOD OF MANUFACTURING SOLID ELECTROLYTIC CAPACITOR SANYO ELECTRIC CO., LTD. (JP) 2008-09-18 US 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-20120119157-A1 THIOPHENE DERIVATIVE, METHOD FOR PRODUCING SAME, AND POLYMER OF THIOPHENE DERIVATIVE TST, WEE2, WEE1 HTR6 4297/4885IDO1 2625/4885ALDH1A1 1277/4885

“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.