SCHEMBL971380

SCHEMBL971380

CCCC/C=C/OC(C)C#N

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
SCHEMBL971383 1.00 TSHR (0.33) TSHR
SCHEMBL28397066 0.79
SCHEMBL8755332 0.78 TSHR (0.35) TSHR
SCHEMBL8755326 0.74 TSHR (0.31) TSHR
SCHEMBL17706852 0.72 TSHR (0.31) TSHR
SCHEMBL17706856 0.72 TSHR (0.31) TSHR
SCHEMBL17267377 0.71 LMNA (0.42) TSHR
SCHEMBL17706838 0.71 MEN1 (0.33) TSHR
SCHEMBL17706835 0.71 MEN1 (0.33) TSHR
SCHEMBL17267376 0.71 LMNA (0.42) TSHR

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-20110020251-A1 Ultraviolet-Absorbing Compounds AVOCA LLC 2011-01-27 US claimed
US-8673272-B2 Ultraviolet-absorbing compounds ISP INVESTMENTS INC. (US) 2014-03-18 US disclosed
US-20110020251-A1 Ultraviolet-Absorbing Compounds AVOCA LLC 2011-01-27 US disclosed
EP-0673364-B1 METHYLBUTOXY-PROPIONITRILES AND THEIR USE AS PERFUMES QUEST INT (NL) 1997-04-09 EP disclosed
US-5618784-A Methylbutoxy-propionitriles and their use as perfumes QUEST INTERNATIONAL B.V. (NL) 1997-04-08 US disclosed
EP-0673364-A1 METHYLBUTOXY-PROPIONITRILES AND THEIR USE AS PERFUMES. QUEST INT (NL) 1995-09-27 EP disclosed
WO-1994013626-A1 METHYLBUTOXY-PROPIONITRILES AND THEIR USE AS PERFUMES QUEST INTERNATIONAL B.V. (NL) 1994-06-23 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-20110020251-A1 Ultraviolet-Absorbing Compounds UFM1, UHRF1, CUTA TSHR 2543/4885

“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.