SCHEMBL3103585

SCHEMBL3103585

CC(C)=CCCC(C)=CCCc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
CTSL P07711 1/20 0.53
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
UGT1A1 P22309 1/20 0.48
SQLE Q14534 1/20 0.47
TRPV1 Q8NER1 3/20 0.47
APP P05067 1/20 0.47
MAOB P27338 1/20 0.47
PTPN1 P18031 1/20 0.46
BACE1 P56817 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL3103575 1.00 KMT2A (0.53) KMT2ACTSLPPARGPPARAMAPT
SCHEMBL107820 0.89 ESR1 (0.54) KMT2ACTSLALDH1A1MEN1CYP3A4
SCHEMBL3092254 0.86 KMT2A (0.53) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL3092262 0.86 KMT2A (0.53) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL3084555 0.86 KMT2A (0.53) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL3084553 0.86 KMT2A (0.53) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL28252862 0.86 PPARG (0.57) KMT2ACTSLPPARGPPARAMAPT
SCHEMBL23864993 0.85 KMT2A (0.52) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL11855432 0.85 KMT2A (0.52) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL11855421 0.85 KMT2A (0.52) KMT2AMAPTALDH1A1MEN1CYP3A4

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 KMT2A 2281/4885CTSL 4468/4885PPARG 1916/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 KMT2A 1729/4885CTSL 4542/4885PPARG 1086/4885

“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.