SCHEMBL8347186

SCHEMBL8347186

COC(=O)/C=C/C[C@@H](C)CCC=C(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.49
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
USP2 O75604 1/20 0.38
GGPS1 O95749 2/20 0.38
FDPS P14324 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
TSHR P16473 1/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 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
SCHEMBL9618072 1.00 ALOX15 (0.49) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL9618071 1.00 ALOX15 (0.49) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL11842673 0.89 ALOX15 (0.45) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL11849438 0.89 ALOX15 (0.45) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL11858937 0.88 ALDH1A1 (0.50) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL11858941 0.88 ALDH1A1 (0.50) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL28035603 0.86 ALDH1A1 (0.37) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL10464133 0.85 ALDH1A1 (0.39) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL10464085 0.85 ALDH1A1 (0.36) ALOX15ALDH1A1TDP1LMNACYP3A4
SCHEMBL10464084 0.85 ALDH1A1 (0.36) ALOX15ALDH1A1TDP1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders PFIZER INC. 2009-08-13 US disclosed
US-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders PFIZER INC. 2009-08-13 US disclosed
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders PFIZER INC 2008-08-28 US disclosed
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders PFIZER INC 2008-08-28 US disclosed
US-7381747-B2 Alpha 2 delta ligands for post-traumatic stress disorder WARNER-LAMBERT COMPANY LLC (US) 2008-06-03 US disclosed
US-7381747-B2 Alpha 2 delta ligands for post-traumatic stress disorder WARNER-LAMBERT COMPANY LLC (US) 2008-06-03 US disclosed
EP-1840117-A1 Mono- and disubstituted 3-propyl gamma-aminobutyric acids Warner-Lambert Company LLC (US) 2007-10-03 EP disclosed
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS PFIZER INC 2007-02-01 US disclosed
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS PFIZER INC 2007-02-01 US disclosed
US-7164034-B2 Alpha2delta ligands for fibromyalgia and other disorders PFIZER INC. (US) 2007-01-16 US disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 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 (3 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-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 ALOX15 390/4885ALDH1A1 775/4885TDP1 1748/4885
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS OPRD1, HCRTR2, OPRL1 ALOX15 496/4885ALDH1A1 1174/4885TDP1 3116/4885
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 ALOX15 390/4885ALDH1A1 775/4885TDP1 1748/4885

“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.