SCHEMBL1614849

SCHEMBL1614849

CCCCCCCCCCCCCC(OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.47
MBOAT4 Q96T53 1/20 0.43
DNM1 Q05193 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 2/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL1614607 1.00 CETP (0.47) CETPMBOAT4DNM1MEN1KMT2A
SCHEMBL9116193 0.82 CETP (0.44) CETPMBOAT4DNM1MEN1KMT2A
SCHEMBL10389226 0.82 CETP (0.44) CETPMBOAT4DNM1MEN1KMT2A
SCHEMBL9221499 0.81 CETP (0.43) CETPMBOAT4DNM1MEN1KMT2A
SCHEMBL7451131 0.80 CETP (0.47) CETPMBOAT4DNM1MEN1KMT2A
SCHEMBL16459448 0.80 CETP (0.47) CETPMBOAT4DNM1MEN1KMT2A
SCHEMBL8709144 0.78 CETP (0.41) CETPMBOAT4DNM1MEN1KMT2A
SCHEMBL8709296 0.77 MBOAT4 (0.45) CETPMBOAT4MEN1KMT2AMAPK1
SCHEMBL14879821 0.77 TSHR (0.48) MEN1KMT2AMAPK1TP53ALDH1A1
SCHEMBL19829244 0.76 CETP (0.41) CETPMAPK1TP53SMN1; SMN2ALDH1A1

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 CETP 533/4885MBOAT4 4741/4885DNM1 3760/4885
US-20150202176-A1 Compositions for Prevention/Prophylactic Treatment of Poison Ivy Dermatitis UGT1A3, IL33, ITCH CETP 533/4885MBOAT4 4741/4885DNM1 3760/4885
US-20180078520-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS UGT1A3, ITCH, UGT1A1 CETP 451/4885MBOAT4 4519/4885DNM1 3477/4885
US-10322103-B2 Compositions for prevention/prophylactic treatment of poison ivy dermatitis UGT1A3, ITCH, UGT1A1 CETP 451/4885MBOAT4 4519/4885DNM1 3477/4885
US-20110086900-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS UGT1A3, IL33, ITCH CETP 533/4885MBOAT4 4741/4885DNM1 3760/4885

“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.