SCHEMBL4004376

SCHEMBL4004376

CC(C)(C)c1ccc(/C(=C\C(=O)O)CCCO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.45
SRD5A2 P31213 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HDAC1 Q13547 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
NR1H4 Q96RI1 5/20 0.40
LMNA P02545 1/20 0.40
NR4A2 P43354 2/20 0.40
NR4A1 P22736 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
SCHEMBL4002097 1.00 PDPK1 (0.45) PDPK1SRD5A2CA1CA2HDAC1
SCHEMBL4004377 1.00 PDPK1 (0.45) PDPK1SRD5A2CA1CA2HDAC1
SCHEMBL14034157 0.88 HDAC1 (0.49) PDPK1SRD5A2CA1CA2HDAC1
SCHEMBL4000194 0.87 PDPK1 (0.44) PDPK1SRD5A2CA1CA2HDAC1
SCHEMBL4000199 0.87 PDPK1 (0.44) PDPK1SRD5A2CA1CA2HDAC1
SCHEMBL4000197 0.87 PDPK1 (0.44) PDPK1SRD5A2CA1CA2HDAC1
SCHEMBL13675591 0.82 TRPV1 (0.44) HDAC1TRPV1RAB9AMEN1ALDH1A1
SCHEMBL3996545 0.82 PDPK1 (0.45) PDPK1SRD5A2CA1CA2HDAC1
SCHEMBL3996552 0.82 PDPK1 (0.45) PDPK1SRD5A2CA1CA2HDAC1
SCHEMBL3996548 0.82 PDPK1 (0.45) PDPK1SRD5A2CA1CA2HDAC1

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 1990/4885SRD5A2 3480/4885CA1 2759/4885
US-20060030618-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PDPK1 1990/4885SRD5A2 3480/4885CA1 2759/4885
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PDPK1 1793/4885SRD5A2 2955/4885CA1 2534/4885
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PDPK1 1990/4885SRD5A2 3480/4885CA1 2759/4885
US-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 PDPK1 1990/4885SRD5A2 3480/4885CA1 2759/4885

“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.