SCHEMBL3696016

SCHEMBL3696016

COc1cscc1CCO

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
TNKS2 Q9H2K2 1/20 0.34
CYP2D6 P10635 1/20 0.33
HMGCR P04035 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL3700645 0.88 TNKS2 (0.43) PDE4APDE4BPDE4CPDE4DTNKS2
SCHEMBL4240144 0.83
SCHEMBL8516248 0.81 HMGCR (0.47) HMGCRHTR2AHTR2CTAAR1
SCHEMBL3703023 0.79 HTR2A (0.32) HTR2AHTR2CGAAMAPTTSHR
SCHEMBL9298398 0.78 ALOX5 (0.42) HMGCRHTR2A
SCHEMBL7117492 0.77 POLB (0.45)
SCHEMBL3699161 0.76 GAA (0.32) HTR2AHTR2CGAAMAPTTSHR
SCHEMBL9298002 0.76
SCHEMBL5010452 0.76
SCHEMBL721971 0.75 ALOX5 (0.50) HTR2A

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 7 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-9039936-B2 Thiophene derivative, method for producing same, and polymer of thiophene derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-05-26 US disclosed
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
US-20120119157-A1 THIOPHENE DERIVATIVE, METHOD FOR PRODUCING SAME, AND POLYMER OF THIOPHENE DERIVATIVE KURARAY CO., LTD. (JP) 2012-05-17 US disclosed
US-20120119157-A1 THIOPHENE DERIVATIVE, METHOD FOR PRODUCING SAME, AND POLYMER OF THIOPHENE DERIVATIVE KURARAY CO., LTD. (JP) 2012-05-17 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 PDE4A 3957/4885PDE4B 3327/4885PDE4C 4169/4885

“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.