SCHEMBL820598

SCHEMBL820598

CCCCCCCCCCCCCOCCCC=O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
FAAH O00519 2/20 0.58
TRPV1 Q8NER1 2/20 0.58
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
CES2 O00748 2/20 0.47
USP2 O75604 1/20 0.44
EPHX1 P07099 1/20 0.43
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43

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
SCHEMBL1301661 1.00 TSHR (0.65) TSHRFAAHTRPV1HTTMEN1
SCHEMBL13474797 1.00 TSHR (0.65) TSHRFAAHTRPV1HTTMEN1
SCHEMBL8840933 0.98 TSHR (0.61) TSHRFAAHTRPV1HTTMEN1
SCHEMBL15923909 0.95 TSHR (0.73) TSHRFAAHTRPV1HTTMEN1
SCHEMBL8386491 0.95 TSHR (0.73) TSHRFAAHTRPV1HTTMEN1
SCHEMBL15593792 0.95 TSHR (0.73) TSHRFAAHTRPV1HTTMEN1
SCHEMBL19775094 0.95 TSHR (0.73) TSHRFAAHTRPV1HTTMEN1
SCHEMBL678273 0.95 TSHR (0.73) TSHRFAAHTRPV1HTTMEN1
SCHEMBL10584770 0.95 TSHR (0.73) TSHRFAAHTRPV1HTTMEN1
SCHEMBL8582262 0.95 TSHR (0.73) TSHRFAAHTRPV1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617287-B2 Mercaptosilanes EVONIK DEGUSSA GMBH (DE) 2017-04-11 US disclosed
US-20110287205-A1 Mercaptosilanes EVONIK OPERATIONS GMBH (DE) 2011-11-24 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-20110287205-A1 Mercaptosilanes MSR1, MSRB3, CCNE2 TSHR 468/4885FAAH 3835/4885TRPV1 4310/4885

“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.