SCHEMBL3091996

SCHEMBL3091996

CC(C)=CCCC(C)=CCCC(C)=CCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.62
KMT2A Q03164 2/20 0.55
MAPT P10636 4/20 0.50
CYP3A4 P08684 2/20 0.50
CNR2 P34972 1/20 0.50
ICMT O60725 1/20 0.50
GMNN O75496 1/20 0.50
TRPA1 O75762 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
CDK2 P24941 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL14695430 1.00 TRPV1 (0.62) TRPV1KMT2AMAPTCYP3A4CNR2
SCHEMBL3099921 1.00 TRPV1 (0.62) TRPV1KMT2AMAPTCYP3A4CNR2
SCHEMBL3088509 1.00 TRPV1 (0.62) TRPV1KMT2AMAPTCYP3A4CNR2
SCHEMBL3088505 1.00 TRPV1 (0.62) TRPV1KMT2AMAPTCYP3A4CNR2
SCHEMBL3091987 1.00 TRPV1 (0.62) TRPV1KMT2AMAPTCYP3A4CNR2
SCHEMBL105976 0.89 TRPV1 (0.51) TRPV1HSD17B10ALDH1A1ALOX15
SCHEMBL21693906 0.88 TRPV1 (0.50) TRPV1KMT2AMAPTCYP3A4CNR2
SCHEMBL3090268 0.88 TRPV1 (0.50) TRPV1KMT2AMAPTCYP3A4CNR2
SCHEMBL3090265 0.88 TRPV1 (0.50) TRPV1KMT2AMAPTCYP3A4CNR2
SCHEMBL29105881 0.87 ALDH1A1 (0.53) TRPV1KMT2ARECQLALDH1A1LSS

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 TRPV1 2313/4885KMT2A 2281/4885MAPT 4010/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 TRPV1 2612/4885KMT2A 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.