SCHEMBL181044

SCHEMBL181044

CCCCCCCCc1ccc2cc(C=O)c(SC)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.42
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
TLR8 Q9NR97 3/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARA Q07869 1/20 0.38
THRB P10828 1/20 0.38
LPL P06858 4/20 0.37
LIPG Q9Y5X9 4/20 0.37
TRPV1 Q8NER1 1/20 0.37
MGLL Q99685 1/20 0.37
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL16672185 0.89 TLR8 (0.40) S1PR1S1PR3TLR8KAT8ESR1
SCHEMBL181328 0.89 TLR8 (0.40) S1PR1S1PR3TLR8KAT8ESR1
SCHEMBL181327 0.89 TLR8 (0.40) S1PR1S1PR3TLR8KAT8ESR1
SCHEMBL14786518 0.89 TLR8 (0.40) S1PR1S1PR3TLR8KAT8ESR1
SCHEMBL14786501 0.88 TLR8 (0.39) S1PR1S1PR3TLR8THRBESR1
SCHEMBL14786454 0.86 SIGMAR1 (0.40) TLR8
SCHEMBL9791110 0.85 CDK1 (0.51) CDK1KAT8PPARATHRBLPL
SCHEMBL19506649 0.84 TLR8 (0.36) S1PR1S1PR3TLR8ESR1ADRA2A
SCHEMBL14786477 0.83 GPR3 (0.37) TLR8LPLLIPGHTR2A
SCHEMBL16672062 0.81 TLR8 (0.41) S1PR1S1PR3TLR8KAT8ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796727-B2 Field effect transistor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2017-10-24 US disclosed
US-9796727-B2 Field effect transistor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2017-10-24 US disclosed
EP-2402348-B1 FIELD EFFECT TRANSISTOR NIPPON KAYAKU KK (JP) 2017-04-12 EP disclosed
US-20150329538-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2015-11-19 US disclosed
EP-2402348-A1 FIELD EFFECT TRANSISTOR Hiroshima University (JP) 2012-01-04 EP disclosed
WO-2010098372-A1 FIELD EFFECT TRANSISTOR 国立大学法人広島大学 (JP) 2010-09-02 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 (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-20150329538-A1 AMIDES AS PIM INHIBITORS PIM1, PIM3, PIM2 CDK1 404/4885S1PR1 3573/4885S1PR3 3113/4885

“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.