SCHEMBL3096216

SCHEMBL3096216

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCCO

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 7/20 0.80
KMT2A Q03164 3/20 0.70
MAPT P10636 2/20 0.68
MEN1 O00255 2/20 0.68
CYP3A4 P08684 2/20 0.68
ALOX15 P16050 2/20 0.68
ALDH1A1 P00352 1/20 0.68
UGT1A1 P22309 1/20 0.68
ICMT O60725 1/20 0.58
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL17554341 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL8625012 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL8622512 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL24940711 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL8625008 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL24940873 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL16221426 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL24940909 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL3096208 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4
SCHEMBL5603630 1.00 SQLE (0.80) SQLEKMT2AMAPTMEN1CYP3A4

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-8629268-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-01-14 US disclosed
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-02-21 US disclosed
US-8227645-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-07-24 US disclosed
US-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-09-09 US disclosed
WO-2007097719-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2007-08-30 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-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND DHPS, GGPS1, COASY SQLE 7/4885KMT2A 2281/4885MAPT 4010/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 SQLE 56/4885KMT2A 1729/4885MAPT 3702/4885

“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.