SCHEMBL13675966

SCHEMBL13675966

CC(C)(C)c1ccc(CCC(=O)Nc2cccc(CO)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
GAA P10253 3/20 0.59
TRPV1 Q8NER1 2/20 0.59
NLRP3 Q96P20 1/20 0.56
IKBKB O14920 1/20 0.55
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 1/20 0.53
ALOX15 P16050 1/20 0.53
HTT P42858 1/20 0.52
NR1H4 Q96RI1 2/20 0.52
HPGD P15428 1/20 0.52
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49

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
SCHEMBL13676046 0.86 NLRP3 (0.76) MAPTGAATRPV1NLRP3ALDH1A1
SCHEMBL13676147 0.86 RAB9A (0.62) MAPTGAATRPV1NLRP3ALDH1A1
SCHEMBL13675963 0.85 TRPV1 (0.62) MAPTGAATRPV1RAB9AHTT
SCHEMBL13675958 0.85 TRPV1 (0.59) MAPTGAATRPV1NLRP3ALDH1A1
SCHEMBL5278945 0.85 TRPV1 (0.59) MAPTGAATRPV1NLRP3ALDH1A1
SCHEMBL13676043 0.84 MAPT (0.71) MAPTGAATRPV1NLRP3ALDH1A1
SCHEMBL13675947 0.82 RAB9A (0.75) MAPTGAATRPV1NLRP3ALDH1A1
SCHEMBL13676191 0.82 MEN1 (0.61) MAPTGAATRPV1NLRP3ALDH1A1
SCHEMBL13675960 0.82 ALDH1A1 (0.75) MAPTGAATRPV1NLRP3ALDH1A1
SCHEMBL7295351 0.81 NR1H4 (0.76) MAPTIKBKBALDH1A1RAB9AHTT

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 6 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-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-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
US-7579347-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-08-25 US 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 (1 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-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 MAPT 755/4885GAA 1055/4885TRPV1 1/4885

“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.