SCHEMBL10033964

SCHEMBL10033964

C/N=N/N1C(C)(C)CCCC1(C)C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL20504145 0.70 TSHR (0.35) TSHRNFKB1CYP2C19
SCHEMBL10033970 0.66 ALDH1A1 (0.39) TSHR
SCHEMBL10033969 0.66 ALDH1A1 (0.39) TSHR
SCHEMBL4142846 0.65 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL28538076 0.65
SCHEMBL10882059 0.65 TSHR (0.32) TSHRNFKB1CYP2C19
SCHEMBL29808152 0.65
SCHEMBL11658870 0.62 TSHR (0.31) TSHRNFKB1CYP2C19
SCHEMBL11453005 0.61 TSHR (0.36) TSHRNFKB1CYP2C19
Pempidine SCHEMBL217663 0.61 TSHR (0.58) TSHRNFKB1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940806-B2 Polymerizable compositions BASF SE (DE) 2015-01-27 US disclosed
US-8940806-B2 Polymerizable compositions BASF SE (DE) 2015-01-27 US disclosed
US-20120041093-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2012-02-16 US disclosed
US-20120041093-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2012-02-16 US disclosed
WO-2010112410-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2010-10-07 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-20120041093-A1 POLYMERIZABLE COMPOSITIONS H1-10, CBR1, NR1H2 TSHR 1205/4885NFKB1 2791/4885CYP2C19 163/4885

“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.