SCHEMBL433940

SCHEMBL433940

Cc1ccc2c(c1)CCC(C(=O)O)O2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 7/20 0.50
CYP4A11 Q02928 7/20 0.50
PPARG P37231 2/20 0.43
PPARA Q07869 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
CYSLTR1 Q9Y271 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
TBXAS1 P24557 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39

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
SCHEMBL430182 0.88 CYP4F2 (0.50) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C9
SCHEMBL10511106 0.88 PPARG (0.43) CYP4F2CYP4A11PPARGPPARACYP1A2
SCHEMBL24193318 0.84 TDP1 (0.46) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL18165470 0.84 CYP4F2 (0.56) CYP4F2CYP4A11CYP1A2CYP3A4CYP2C9
SCHEMBL7290410 0.83 ESR1 (0.56) CYP4F2CYP4A11PPARGPPARANFKB1
SCHEMBL4193774 0.83 ESR1 (0.56) CYP4F2CYP4A11PPARGPPARANFKB1
SCHEMBL13230299 0.81 CYP4F2 (0.75) CYP4F2CYP4A11PPARGPPARACYP1A2
SCHEMBL5847887 0.81 POLB (0.48) CYP4F2CYP4A11PPARGPPARAKMT2A
SCHEMBL5152840 0.81 CYP4F2 (0.44) CYP4F2CYP4A11PPARGPPARANFKB1
SCHEMBL5847886 0.81 POLB (0.48) CYP4F2CYP4A11PPARGPPARAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
EP-2450346-A1 Antagonists of the TRPV1 receptor and uses thereof Abbott Laboratories (US) 2012-05-09 EP disclosed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-8030504-B2 Pain, especially, inflammatory hyperalgesia, ostheoarthritic pain, chronic lower pain, allodynia, migraine. Methods of controlling pain and treating bladder overactivity and urinary incontinence ABBOTT LABORATORIES (US) 2011-10-04 US disclosed
CN-101563318-A N- (5, 6, 7, 8-tetrahydronaphthalen-1-yl) urea derivatives and related compounds as trpv1 vanilloid receptor antagonists for the treatment of pain ABBOTT LAB (US) 2009-10-21 CN disclosed
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-4178380-A LIPOGENSIS INHIBITORS SHELL OIL COMPANY (US) 1979-12-11 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 (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-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 CYP4F2 3509/4885CYP4A11 3069/4885PPARG 1163/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 CYP4F2 3676/4885CYP4A11 3151/4885PPARG 1080/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 CYP4F2 3509/4885CYP4A11 3069/4885PPARG 1163/4885

“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.