SCHEMBL3698922

SCHEMBL3698922

O=S(=O)(O)C1CCCc2ccccc21.[Fe]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.45
IDO1 P14902 2/20 0.45
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
BLM P54132 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX1 P07099 1/20 0.42
TSHR P16473 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
XBP1 P17861 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
SCHEMBL1793811 0.98 HTR6 (0.46) HTR6IDO1HTTCYP1A2ALDH1A1
SCHEMBL3004778 0.97 HTR6 (0.49) HTR6IDO1HTTCYP1A2ALDH1A1
Methylamine SCHEMBL2996995 0.93 HTR6 (0.47) HTR6IDO1HTTCYP1A2ALDH1A1
Ethylamine SCHEMBL2991122 0.89 HTT (0.44) HTR6IDO1HTTALDH1A1LMNA
SCHEMBL2992196 0.88 LMNA (0.43) HTTCYP1A2ALDH1A1LMNAMEN1
SCHEMBL2319101 0.87 HTR6 (0.57) HTR6IDO1CA1CA2MAOA
SCHEMBL3001494 0.87 ALDH1A1 (0.44) HTTALDH1A1LMNATSHRMAOA
SCHEMBL29207366 0.86 HTR6 (0.55) HTR6IDO1CA1CA2MAOA
SCHEMBL3002962 0.84 HTT (0.52) HTTCYP1A2ALDH1A1LMNABLM
Butylamine SCHEMBL2996208 0.83 HTT (0.43) HTR6HTTALDH1A1KMT2AMAOA

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 4 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
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
CN-101533722-A Method of manufacturing solid electrolytic capacitor SANYO ELECTRIC CO 2009-09-16 CN 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 2625/4885HTT 3262/4885

“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.