SCHEMBL3997269

SCHEMBL3997269

CC(C)(C)c1ccc(/C(=C/C(=O)O)CCC2OCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.40
TRPV1 Q8NER1 4/20 0.40
SRD5A2 P31213 1/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX12 P18054 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HDAC1 Q13547 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36

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
SCHEMBL3997273 1.00 PDPK1 (0.40) PDPK1TRPV1SRD5A2LMNAALDH1A1
SCHEMBL3997275 1.00 PDPK1 (0.40) PDPK1TRPV1SRD5A2LMNAALDH1A1
SCHEMBL13675589 0.84 TRPV1 (0.47) TRPV1LMNAALDH1A1ALOX12POLB
SCHEMBL3997566 0.77 TRPV1 (0.72) TRPV1MEN1KMT2AMAPTRAB9A
SCHEMBL3997561 0.77 TRPV1 (0.72) TRPV1MEN1KMT2AMAPTRAB9A
SCHEMBL4004376 0.76 PDPK1 (0.45) PDPK1TRPV1SRD5A2LMNAALDH1A1
SCHEMBL4002097 0.76 PDPK1 (0.45) PDPK1TRPV1SRD5A2LMNAALDH1A1
SCHEMBL14034157 0.76 HDAC1 (0.49) PDPK1TRPV1SRD5A2LMNAALDH1A1
SCHEMBL4004377 0.76 PDPK1 (0.45) PDPK1TRPV1SRD5A2LMNAALDH1A1
SCHEMBL3996545 0.76 PDPK1 (0.45) PDPK1SRD5A2LMNAALDH1A1CA1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. 2009-10-22 US disclosed
US-7582657-B2 Treating inflammatory and neuropathic pain, headache, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, eye disorders, bladder disorders, psoriasis, skin disorders, asthma, herpes simplex AMGEN INC. (US) 2009-09-01 US disclosed
US-7579347-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-08-25 US disclosed
EP-1780196-A2 Pyridine derivatives for use as vanilloid receptor ligands Amgen, Inc (US) 2007-05-02 EP disclosed
EP-1764358-A2 Cyclic amides as vanilloid receptor ligands and their use in treatments of inflammatory and neuropathic pain Amgen, Inc (US) 2007-03-21 EP disclosed
US-20060030618-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-02-09 US disclosed
US-20050272931-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
EP-1463714-A4 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC (US) 2005-10-19 EP disclosed
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-10-13 US disclosed
EP-1463714-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2004-10-06 EP disclosed
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2003-10-16 US disclosed
WO-2003049702-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2003-06-19 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 (5 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-20050272931-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PDPK1 1990/4885TRPV1 1/4885SRD5A2 3480/4885
US-20060030618-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PDPK1 1990/4885TRPV1 1/4885SRD5A2 3480/4885
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PDPK1 1793/4885TRPV1 1/4885SRD5A2 2955/4885
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PDPK1 1990/4885TRPV1 1/4885SRD5A2 3480/4885
US-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 PDPK1 1990/4885TRPV1 1/4885SRD5A2 3480/4885

“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.