SCHEMBL12714865

SCHEMBL12714865

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
CYP4Z1 Q86W10 2/20 0.48
CYP4F11 Q9HBI6 1/20 0.48
CYP4F12 Q9HCS2 1/20 0.48
TDP1 Q9NUW8 2/20 0.45
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.43
ALOX5 P09917 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
PLAAT3 P53816 1/20 0.42

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
SCHEMBL20725247 0.91 CYP4F2 (0.53) TSHRCYP4Z1TDP1PKMSMN1; SMN2
SCHEMBL31329304 0.85 ALOX5 (0.55) TSHRSMN1; SMN2LMNAALOX5MAPT
SCHEMBL1613291 0.85 TSHR (0.47) TSHRCYP4Z1CYP4F11CYP4F12TDP1
SCHEMBL11091345 0.84 SMN1; SMN2 (0.56) TSHRTDP1FAAHMGLLPKM
SCHEMBL10289874 0.82 CYP4F2 (0.62) CYP4Z1CYP4F11CYP4F12TDP1FAAH
SCHEMBL27481392 0.82 TSHR (0.51) TSHRCYP4Z1MGLLPKMSMN1; SMN2
SCHEMBL27367107 0.81 KMT2A (0.49) TSHRCYP4Z1TDP1PKMSMN1; SMN2
SCHEMBL5708169 0.80 MAPT (0.49) TSHRTDP1PKMSMN1; SMN2MAPK1
SCHEMBL27787305 0.80 SMN1; SMN2 (0.55) TSHRTDP1FAAHMGLLPKM
SCHEMBL28755965 0.79 ALDH1A1 (0.50) TSHRCYP4Z1CYP4F11CYP4F12FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180078520-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS UNIVERSITY OF MISSISSIPPI 2018-03-22 US 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

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-20130303582-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS UGT1A3, IL33, ITCH TSHR 4875/4885CYP4Z1 1709/4885CYP4F11 760/4885
US-20150202176-A1 Compositions for Prevention/Prophylactic Treatment of Poison Ivy Dermatitis UGT1A3, IL33, ITCH TSHR 4875/4885CYP4Z1 1709/4885CYP4F11 760/4885
US-20180078520-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS UGT1A3, ITCH, UGT1A1 TSHR 4867/4885CYP4Z1 1660/4885CYP4F11 586/4885
US-20110086900-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS UGT1A3, IL33, ITCH TSHR 4875/4885CYP4Z1 1709/4885CYP4F11 760/4885

“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.