SCHEMBL1780865

SCHEMBL1780865

CCCCC(C)C(C)C(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
DNM1 Q05193 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 1/20 0.35
CA2 P00918 6/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 4/20 0.33
LMNA P02545 1/20 0.31
FDPS P14324 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL30888153 0.83 LMNA (0.39) TSHRLMNA
SCHEMBL1095009 0.82 ALDH1A1 (0.36) ALDH1A1TDP1DNM1TSHRCYP3A4
SCHEMBL22239267 0.81 OPRM1 (0.39) ALDH1A1TDP1DNM1OPRM1CA2
SCHEMBL12005838 0.81 ALDH1A1 (0.39) ALDH1A1TDP1DNM1TSHRCYP3A4
SCHEMBL11817761 0.80 ALDH1A1 (0.46) ALDH1A1TDP1DNM1TSHRCYP3A4
SCHEMBL2503665 0.79 ALDH1A1 (0.37) ALDH1A1TDP1DNM1TSHRCYP3A4
SCHEMBL23970017 0.78 ALDH1A1 (0.38) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL15238771 0.78 DNM1 (0.39) ALDH1A1TDP1DNM1TSHRCYP3A4
SCHEMBL11818913 0.77 ALDH1A1 (0.43) ALDH1A1TDP1DNM1TSHRCYP3A4
SCHEMBL82325 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253626-B1 THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN, AND USE OF THE POLYMERIZABLE COMPOSITION AND THE RESIN MITSUI CHEMICALS INC (JP) 2013-05-29 EP disclosed
US-8362280-B2 Thietane compound, polymerizable composition containing the same, resin, method for producing the resin, and use of the polymerizable composition and the resin MITSUI CHEMICALS, INC. (JP) 2013-01-29 US disclosed
US-20110118412-A1 THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN, AND USE OF THE POLYMERIZABLE COMPOSITION AND THE RESIN MITSUI CHEMICALS, INC. (JP) 2011-05-19 US disclosed
EP-2253626-A1 THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN, AND USE OF THE RESIN Mitsui Chemicals, Inc. (JP) 2010-11-24 EP 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-20110118412-A1 THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN, AND USE OF THE POLYMERIZABLE COMPOSITION AND THE RESIN TERB1, TMSB10, TMSB4X ALDH1A1 1851/4885TDP1 2597/4885DNM1 3106/4885

“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.