SCHEMBL3090265

SCHEMBL3090265

C/C(=C\CC/C(C)=C/CCc1ccccc1)CO

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.50
LSS P48449 2/20 0.48
ALDH1A1 P00352 2/20 0.43
BTN3A1 O00481 2/20 0.41
PTGS2 P35354 1/20 0.41
KEAP1 Q14145 1/20 0.41
CNR2 P34972 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.40
GPR52 Q9Y2T5 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
UGT1A1 P22309 1/20 0.40
KMT2A Q03164 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
SCHEMBL3090268 1.00 TRPV1 (0.50) TRPV1LSSALDH1A1BTN3A1PTGS2
SCHEMBL13393571 0.90 LSS (0.52) TRPV1LSSALDH1A1BTN3A1PTGS2
SCHEMBL3099921 0.88 TRPV1 (0.62) TRPV1LSSALDH1A1CNR2MAPT
SCHEMBL3088509 0.88 TRPV1 (0.62) TRPV1LSSALDH1A1CNR2MAPT
SCHEMBL3088505 0.88 TRPV1 (0.62) TRPV1LSSALDH1A1CNR2MAPT
SCHEMBL14695430 0.88 TRPV1 (0.62) TRPV1LSSALDH1A1CNR2MAPT
SCHEMBL3091996 0.88 TRPV1 (0.62) TRPV1LSSALDH1A1CNR2MAPT
SCHEMBL3091987 0.88 TRPV1 (0.62) TRPV1LSSALDH1A1CNR2MAPT
SCHEMBL21693906 0.86 TRPV1 (0.50) TRPV1LSSALDH1A1CNR2MAPT
SCHEMBL29105881 0.85 ALDH1A1 (0.53) TRPV1LSSALDH1A1KEAP1TDP1

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 9 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-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-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-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
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 107/4885ALDH1A1 1419/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 TRPV1 2612/4885LSS 162/4885ALDH1A1 438/4885

“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.