SCHEMBL1614610

SCHEMBL1614610

CCCCCCCCCCCCCCCCC(O)(OCc1ccccc1)c1ccccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
LIPE Q05469 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
CETP P11597 3/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
BCHE P06276 2/20 0.38
TLR4 O00206 1/20 0.38
TLR3 O15455 1/20 0.38
TLR5 O60602 1/20 0.38
TLR2 O60603 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
CAMK1 Q14012 1/20 0.38

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
SCHEMBL1614851 1.00 RXRA (0.43) RXRARXRBRXRGLIPEMAPT
SCHEMBL6026359 0.79 MAPT (0.43) RXRARXRBRXRGLIPEMAPT
SCHEMBL10882700 0.74 RXRA (0.50) RXRARXRBRXRGLIPEMAPT
SCHEMBL16459448 0.74 CETP (0.47) MAPK1TDP1L3MBTL1CETPMBOAT4
SCHEMBL8709296 0.73 MBOAT4 (0.45) MAPK1TDP1L3MBTL1CETPBCHE
SCHEMBL12745448 0.73 HTR1A (0.59) LIPEMAPTMAPK1TDP1L3MBTL1
SCHEMBL1614849 0.73 CETP (0.47) MAPK1TDP1L3MBTL1CETPMBOAT4
SCHEMBL1614607 0.73 CETP (0.47) MAPK1TDP1L3MBTL1CETPMBOAT4
SCHEMBL6811511 0.71 MBOAT4 (0.43) MAPK1TDP1L3MBTL1CETPBCHE
SCHEMBL8991579 0.71 GAA (0.45) LIPEMAPTMAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322103-B2 Compositions for prevention/prophylactic treatment of poison ivy dermatitis UNIVERSITY OF MISSISSIPPI (US) 2019-06-18 US disclosed
US-20180078520-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS UNIVERSITY OF MISSISSIPPI 2018-03-22 US disclosed
EP-3274322-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS The University Of Mississippi (US) 2018-01-31 EP disclosed
WO-2016160090-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS THE UNIVERSITY OF MISSISSIPPI (US) 2016-10-06 WO disclosed
US-9408822-B2 Compositions for prevention/prophylactic treatment of poison ivy dermatitis THE UNIVERSITY OF MISSISSIPPI (US) 2016-08-09 US disclosed
US-20150202176-A1 Compositions for Prevention/Prophylactic Treatment of Poison Ivy Dermatitis THE UNIVERSITY OF MISSISSIPPI 2015-07-23 US disclosed
US-9029417-B2 Compositions for prevention/prophylactic treatment of poison ivy dermatitis THE UNIVERSITY OF MISSISSIPPI (US) 2015-05-12 US disclosed
US-20130303582-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS THE UNIVERSITY OF MISSISSIPPI 2013-11-14 US disclosed
US-8486998-B2 Compositions for prevention/prophylactic treatment of poison ivy dermatitis THE UNIVERSITY OF MISSISSIPPI (US) 2013-07-16 US disclosed
US-20110086900-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS THE UNIVERSITY OF MISSISSIPPI 2011-04-14 US disclosed
WO-2009146131-A2 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS THE UNIVERSITY OF MISSISSIPPI (US) 2009-12-03 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 (5 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-20130303582-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS UGT1A3, IL33, ITCH RXRA 3351/4885RXRB 3166/4885RXRG 3311/4885
US-20150202176-A1 Compositions for Prevention/Prophylactic Treatment of Poison Ivy Dermatitis UGT1A3, IL33, ITCH RXRA 3351/4885RXRB 3166/4885RXRG 3311/4885
US-20180078520-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS UGT1A3, ITCH, UGT1A1 RXRA 4006/4885RXRB 3818/4885RXRG 4003/4885
US-10322103-B2 Compositions for prevention/prophylactic treatment of poison ivy dermatitis UGT1A3, ITCH, UGT1A1 RXRA 4006/4885RXRB 3818/4885RXRG 4003/4885
US-20110086900-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS UGT1A3, IL33, ITCH RXRA 3351/4885RXRB 3166/4885RXRG 3311/4885

“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.