SCHEMBL3321671

SCHEMBL3321671

FC(F)(F)Oc1ccccc1OCC#CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SSTR1 P30872 1/20 0.34
SSTR4 P31391 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
HSP90B1 P14625 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPRB P23467 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
P2RX7 Q99572 1/20 0.33
FFAR1 O14842 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL26615210 0.85 MPL (0.37) RXRARXRBRXRGHSP90AA1HSP90AB1
SCHEMBL15021728 0.79 EGLN1 (0.44) RXRARXRBRXRGSSTR4EGLN1
SCHEMBL3323333 0.79 MAOB (0.47) RXRARXRBRXRGSSTR1SSTR4
SCHEMBL4654446 0.74 RXRA (0.47) RXRARXRBRXRGL3MBTL1SCN9A
SCHEMBL15709753 0.73 HTR7 (0.44) RAB9AL3MBTL1
SCHEMBL458660 0.72 CYP1A2 (0.45) RXRARXRBRXRGL3MBTL1GAA
SCHEMBL2094225 0.72 RXRA (0.53) RXRARXRBRXRGL3MBTL1SSTR1
SCHEMBL2089098 0.72 RXRA (0.49) RXRARXRBRXRGL3MBTL1SSTR1
SCHEMBL2094221 0.72 RXRA (0.53) RXRARXRBRXRGL3MBTL1SSTR1
SCHEMBL12475996 0.70 RXRA (0.44) RXRARXRBRXRGL3MBTL1SSTR1

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-8859584-B2 TRPV1 antagonists ABBVIE, INC. (US) 2014-10-14 US disclosed
US-8609692-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-17 US disclosed
US-8604053-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-10 US disclosed
WO-2013096223-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-06-27 WO disclosed
US-20130158067-A1 TRPV1 Antagonists ABBVIE INC. (US) 2013-06-20 US disclosed
US-20100137360-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-06-03 US disclosed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 US disclosed
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND ABBOTT GMBH & CO. KG (DE) 2009-06-04 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 (4 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-20100137360-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 RXRA 494/4885RXRB 500/4885RXRG 453/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 RXRA 477/4885RXRB 478/4885RXRG 420/4885
US-20130158067-A1 TRPV1 Antagonists TRPV1, NPY1R, MRGPRX1 RXRA 135/4885RXRB 140/4885RXRG 138/4885
US-20090143423-A1 SOLID DISPERSION PRODUCT CONTAINING N-ARYL UREA-BASED COMPOUND U2SURP, UMPS, HNRNPUL1 RXRA 1571/4885RXRB 1290/4885RXRG 1692/4885

“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.