SCHEMBL1613291

SCHEMBL1613291

C=CCOC(=O)CCCc1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP4Z1 Q86W10 2/20 0.42
CYP4F11 Q9HBI6 1/20 0.42
CYP4F12 Q9HCS2 1/20 0.42
MGLL Q99685 2/20 0.42
FAAH O00519 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 2/20 0.40
CYP3A4 P08684 1/20 0.39
CASP1 P29466 1/20 0.39
GFER P55789 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
SCHEMBL12714865 0.85 TSHR (0.51) TSHRPKMSMN1; SMN2CYP4Z1CYP4F11
SCHEMBL11091345 0.84 SMN1; SMN2 (0.56) TSHRPKMSMN1; SMN2MGLLFAAH
SCHEMBL5024619 0.83 MAOB (0.43) CYP4Z1CYP4F11CYP4F12MGLLMAPK1
SCHEMBL31329304 0.82 ALOX5 (0.55) TSHRSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL18996987 0.81 ALDH1A1 (0.45) TSHRPKMSMN1; SMN2CYP4Z1ALDH1A1
SCHEMBL5708169 0.80 MAPT (0.49) TSHRPKMSMN1; SMN2ALDH1A1MAPK1
SCHEMBL1467579 0.80 CYP4F2 (0.58) SMN1; SMN2CYP4Z1CYP4F11CYP4F12FAAH
SCHEMBL28755965 0.79 ALDH1A1 (0.50) TSHRPKMSMN1; SMN2CYP4Z1CYP4F11
SCHEMBL15154017 0.79 MAOB (0.46) SMN1; SMN2MGLLHSD17B10MAPK1TDP1
SCHEMBL9960429 0.78 TSHR (0.46) TSHRPKMSMN1; SMN2CYP4Z1CYP4F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3274322-B1 STABLE COMPOSITIONS FOR PREVENTION / PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS THE UNIV OF MISSISSIPPI (US) 2024-08-14 EP disclosed
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 TSHR 4875/4885PKM 2966/4885SMN1; SMN2 3131/4885
US-20150202176-A1 Compositions for Prevention/Prophylactic Treatment of Poison Ivy Dermatitis UGT1A3, IL33, ITCH TSHR 4875/4885PKM 2966/4885SMN1; SMN2 3131/4885
US-20180078520-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS UGT1A3, ITCH, UGT1A1 TSHR 4867/4885PKM 3209/4885SMN1; SMN2 3622/4885
US-10322103-B2 Compositions for prevention/prophylactic treatment of poison ivy dermatitis UGT1A3, ITCH, UGT1A1 TSHR 4867/4885PKM 3209/4885SMN1; SMN2 3622/4885
US-20110086900-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS UGT1A3, IL33, ITCH TSHR 4875/4885PKM 2966/4885SMN1; SMN2 3131/4885

“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.