SCHEMBL2461297

SCHEMBL2461297

C/C(=C\CC/C(C)=C/COC1CCCCO1)CO

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ALOX15 P16050 3/20 0.39
CYP3A4 P08684 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
UGT1A1 P22309 1/20 0.39
NFE2L2 Q16236 1/20 0.36
SQLE Q14534 4/20 0.36
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
ICMT O60725 1/20 0.33
LSS P48449 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL2461298 1.00 KMT2A (0.39) KMT2AALOX15CYP3A4MAPTMEN1
SCHEMBL11043985 0.92 KMT2A (0.45) KMT2AALOX15CYP3A4MAPTMEN1
SCHEMBL10565043 0.92 KMT2A (0.45) KMT2AALOX15CYP3A4MAPTMEN1
SCHEMBL10565035 0.92 KMT2A (0.45) KMT2AALOX15CYP3A4MAPTMEN1
SCHEMBL10566716 0.92 KMT2A (0.45) KMT2AALOX15CYP3A4MAPTMEN1
SCHEMBL10570887 0.92 KMT2A (0.45) KMT2AALOX15CYP3A4MAPTMEN1
SCHEMBL12306795 0.92 MEN1 (0.35) KMT2AMEN1
SCHEMBL2627751 0.92 MEN1 (0.35) KMT2AMEN1
SCHEMBL10000055 0.90 NFE2L2 (0.44) KMT2AALOX15CYP3A4MAPTMEN1
SCHEMBL10000057 0.88 NFE2L2 (0.36) KMT2AALOX15CYP3A4MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878045-B2 Triorthogonal reagents for dual protein conjugation REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-01-30 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-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-20160271261-A1 TRIORTHOGONAL REAGENTS FOR DUAL PROTEIN CONJUGATION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-09-22 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
US-8017596-B2 Phosphonates useful as modulators of T-γ-9-δ-2 activity INNATE PHARMA, S.A. (FR) 2011-09-13 US disclosed
US-8017596-B2 Phosphonates useful as modulators of T-γ-9-δ-2 activity INNATE PHARMA, S.A. (FR) 2011-09-13 US disclosed
US-8017596-B2 Phosphonates useful as modulators of T-γ-9-δ-2 activity INNATE PHARMA, S.A. (FR) 2011-09-13 US disclosed
US-20100204184-A1 Phosphonates useful as modulators of T-gamma-9-delta-2 activity LABORATOIRES MAYOLY SPINDLER (FR) 2010-08-12 US disclosed
US-20100204184-A1 Phosphonates useful as modulators of T-gamma-9-delta-2 activity LABORATOIRES MAYOLY SPINDLER (FR) 2010-08-12 US disclosed
US-20100204184-A1 Phosphonates useful as modulators of T-gamma-9-delta-2 activity LABORATOIRES MAYOLY SPINDLER (FR) 2010-08-12 US disclosed
US-20060241087-A1 Phosphonates useful as modulators of t $g(g)9$g(d)2 lymphocyte activity MONTERO JEAN-LOUIS 2006-10-26 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 (5 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-20100204184-A1 Phosphonates useful as modulators of T-gamma-9-delta-2 activity CD4, PRKCD, PRKCZ KMT2A 3758/4885ALOX15 2336/4885CYP3A4 2411/4885
US-20140171675-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE RCE1, GGPS1, TELO2 KMT2A 4466/4885ALOX15 312/4885CYP3A4 1679/4885
US-20160222418-A1 ISOPRENE OLIGOMER, POLYISOPRENE, PROCESSES FOR PRODUCING THESE MATERIALS, RUBBER COMPOSITION, AND PNEUMATIC TIRE RCE1, GGPS1, TELO2 KMT2A 4466/4885ALOX15 312/4885CYP3A4 1679/4885
US-20160271261-A1 TRIORTHOGONAL REAGENTS FOR DUAL PROTEIN CONJUGATION FNTA, FNTB, GNPAT KMT2A 2181/4885ALOX15 2076/4885CYP3A4 2482/4885
US-20060241087-A1 Phosphonates useful as modulators of t $g(g)9$g(d)2 lymphocyte activity CD4, GNG2, PLCG2 KMT2A 3312/4885ALOX15 2982/4885CYP3A4 4034/4885

“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.