SCHEMBL2456517

SCHEMBL2456517

CCCC(C)=CCCC(C)=CCBr

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
ALDH1A1 P00352 1/20 0.45
UGT1A1 P22309 1/20 0.45
SQLE Q14534 7/20 0.43
KDM4E B2RXH2 1/20 0.41
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
ICMT O60725 1/20 0.36

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
SCHEMBL2456513 1.00 KMT2A (0.50) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL28241054 0.91
SCHEMBL11733396 0.87 SQLE (0.47) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11733389 0.87 SQLE (0.47) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11702142 0.86 KMT2A (0.50) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11702149 0.86 KMT2A (0.50) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11549688 0.86 KMT2A (0.50) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11549692 0.86 KMT2A (0.50) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL1586840 0.84 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11844736 0.84 KMT2A (0.73) KMT2AMAPTMEN1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060241087-A1 Phosphonates useful as modulators of t $g(g)9$g(d)2 lymphocyte activity MONTERO JEAN-LOUIS 2006-10-26 US disclosed
EP-1453840-A1 PHOSPHONATES USEFUL AS MODULATORS OF T-GAMMA-9-DELTA-2 LYMPHOCYTE ACTIVITY Laboratoire Mayoly Spindler (FR) 2004-09-08 EP disclosed
WO-2003050128-A1 PHOSPHONATES USEFUL AS MODULATORS OF T $G(G)9$G(D)2 LYMPHOCYTE ACTIVITY LABORATOIRE MAYOLY SPINDLER (FR) 2003-06-19 WO disclosed
US-4011335-A INSECTICIDES, HORMONE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1977-03-08 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 (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-20100204184-A1 Phosphonates useful as modulators of T-gamma-9-delta-2 activity CD4, PRKCD, PRKCZ KMT2A 3758/4885MAPT 3165/4885MEN1 4335/4885
US-20060241087-A1 Phosphonates useful as modulators of t $g(g)9$g(d)2 lymphocyte activity CD4, GNG2, PLCG2 KMT2A 3312/4885MAPT 3776/4885MEN1 4324/4885

“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.