SCHEMBL3084764

SCHEMBL3084764

COC(=O)C(C)=CCCC(C)=CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.52
LSS P48449 2/20 0.44
PPARG P37231 3/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
DNMT1 P26358 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CNR2 P34972 1/20 0.41
GPR52 Q9Y2T5 3/20 0.40
ACHE P22303 1/20 0.40
ICMT O60725 1/20 0.40
GMNN O75496 1/20 0.40
TRPA1 O75762 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL3084763 1.00 TRPV1 (0.52) TRPV1LSSPPARGPPARDPPARA
SCHEMBL3084761 1.00 TRPV1 (0.52) TRPV1LSSPPARGPPARDPPARA
SCHEMBL28055677 0.91 ALDH1A1 (0.46) TRPV1ALDH1A1GPR52
SCHEMBL11892322 0.85 TRPV1 (0.53) TRPV1LSSPPARGALDH1A1CNR2
SCHEMBL3099921 0.79 TRPV1 (0.62) TRPV1LSSPPARGPPARAALDH1A1
SCHEMBL3088505 0.79 TRPV1 (0.62) TRPV1LSSPPARGPPARAALDH1A1
SCHEMBL3091996 0.79 TRPV1 (0.62) TRPV1LSSPPARGPPARAALDH1A1
SCHEMBL3088509 0.79 TRPV1 (0.62) TRPV1LSSPPARGPPARAALDH1A1
SCHEMBL14695430 0.79 TRPV1 (0.62) TRPV1LSSPPARGPPARAALDH1A1
SCHEMBL3091987 0.79 TRPV1 (0.62) TRPV1LSSPPARGPPARAALDH1A1

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 2313/4885LSS 107/4885PPARG 1916/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 TRPV1 2612/4885LSS 162/4885PPARG 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.