SCHEMBL10000167

SCHEMBL10000167

CCOC(=O)C(C#N)C/C=C(\C)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.51
FNTB P49356 4/20 0.51
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 2/20 0.45
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
UGT1A1 P22309 1/20 0.40
PGGT1B P53609 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL10000130 0.99 FNTA (0.49) FNTAFNTBALDH1A1ALOX15KMT2A
SCHEMBL10000154 0.85 ALDH1A1 (0.35) ALDH1A1ALOX15KMT2AMEN1
SCHEMBL10000168 0.82 FNTA (0.66) FNTAFNTBALDH1A1ALOX15KMT2A
SCHEMBL10000156 0.81 FNTA (0.63) FNTAFNTBALDH1A1ALOX15KMT2A
SCHEMBL11244964 0.80 FNTA (0.44) FNTAFNTBALDH1A1ALOX15KMT2A
SCHEMBL11244966 0.80 FNTA (0.44) FNTAFNTBALDH1A1ALOX15KMT2A
SCHEMBL16084713 0.80 FNTA (0.57) FNTAFNTBALDH1A1ALOX15KMT2A
SCHEMBL16084746 0.80 FNTA (0.57) FNTAFNTBALDH1A1ALOX15KMT2A
SCHEMBL11707858 0.79 ALDH1A1 (0.58) FNTAFNTBALDH1A1ALOX15PGGT1B
SCHEMBL14826006 0.78 FNTA (0.64) FNTAFNTBALDH1A1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657313-B2 Isoprene oligomer, polyisoprene, processes for producing these materials, rubber composition, and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-05-23 US disclosed
US-9657313-B2 Isoprene oligomer, polyisoprene, processes for producing these materials, rubber composition, and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-05-23 US disclosed
US-20160222418-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-08-04 US disclosed
US-20160222418-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-08-04 US disclosed
US-9371342-B2 Isoprene oligomer, polyisoprene, processes for producing these materials, rubber composition, and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-06-21 US disclosed
US-9371342-B2 Isoprene oligomer, polyisoprene, processes for producing these materials, rubber composition, and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-06-21 US disclosed
US-20140171675-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE YAMAGATA UNIVERSITY (JP) 2014-06-19 US disclosed
US-20140171675-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE YAMAGATA UNIVERSITY (JP) 2014-06-19 US disclosed
EP-2594597-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2013-05-22 EP disclosed
WO-2012008298-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE 住友ゴム工業株式会社 (JP) 2012-01-19 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 (2 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-20140171675-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE RCE1, GGPS1, TELO2 FNTA 20/4885FNTB 48/4885ALDH1A1 3351/4885
US-20160222418-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE RCE1, GGPS1, TELO2 FNTA 20/4885FNTB 48/4885ALDH1A1 3351/4885

“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.