SCHEMBL13675597

SCHEMBL13675597

COC(=O)/C=C/c1ccc(C(F)(F)F)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 9/20 0.49
CYP1B1 Q16678 9/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TRPV1 Q8NER1 1/20 0.41
CFTR P13569 1/20 0.41
HDAC3 O15379 1/20 0.41
ADAM17 P78536 1/20 0.41

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
SCHEMBL9493070 0.87 ALDH1A1 (0.51) CYP1A1CYP1B1ALDH1A1MAPTLMNA
SCHEMBL9493078 0.87 ALDH1A1 (0.51) CYP1A1CYP1B1ALDH1A1MAPTLMNA
SCHEMBL30492109 0.85 ESR1 (0.52) CYP1A1CYP1B1MAPTTTRMAOB
SCHEMBL6821084 0.84 CYP1A1 (0.53) CYP1A1CYP1B1ALDH1A1MAPTLMNA
SCHEMBL6821081 0.84 CYP1A1 (0.53) CYP1A1CYP1B1ALDH1A1MAPTLMNA
SCHEMBL6170951 0.83 CFTR (0.55) CYP1A1CYP1B1ALDH1A1MAPTLMNA
SCHEMBL6170944 0.83 CFTR (0.55) CYP1A1CYP1B1ALDH1A1MAPTLMNA
SCHEMBL3996683 0.82 EIF2AK2 (0.47) CYP1A1CYP1B1ALDH1A1KDM4ECYP1A2
SCHEMBL3996676 0.82 EIF2AK2 (0.47) CYP1A1CYP1B1ALDH1A1KDM4ECYP1A2
SCHEMBL5385815 0.81 ALDH1A1 (0.49) ALDH1A1MAPTGAAKDM4EMEN1

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 7 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-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
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

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 CYP1A1 2228/4885CYP1B1 2670/4885ALDH1A1 3238/4885

“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.