SCHEMBL16007698

SCHEMBL16007698

CCCCCCOC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
NOD1 Q9Y239 2/20 0.46
EPHX1 P07099 1/20 0.46
FAAH O00519 1/20 0.45
TSHR P16473 3/20 0.44
SLC7A5 Q01650 1/20 0.44
HTR2C P28335 1/20 0.44
HCAR2 Q8TDS4 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41

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
SCHEMBL1479494 1.00 NAAA (0.48) NAAANOD1EPHX1FAAHTSHR
SCHEMBL7781924 1.00 NAAA (0.48) NAAANOD1EPHX1FAAHTSHR
SCHEMBL1479492 1.00 NAAA (0.48) NAAANOD1EPHX1FAAHTSHR
SCHEMBL10824102 1.00 NAAA (0.48) NAAANOD1EPHX1FAAHTSHR
SCHEMBL1479592 1.00 NAAA (0.48) NAAANOD1EPHX1FAAHTSHR
SCHEMBL10346980 1.00 NAAA (0.48) NAAANOD1EPHX1FAAHTSHR
SCHEMBL1479595 1.00 NAAA (0.48) NAAANOD1EPHX1FAAHTSHR
SCHEMBL7775081 1.00 NAAA (0.48) NAAANOD1EPHX1FAAHTSHR
SCHEMBL7775084 1.00 NAAA (0.48) NAAANOD1EPHX1FAAHTSHR
SCHEMBL7781921 1.00 NAAA (0.48) NAAANOD1EPHX1FAAHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
US-9962369-B2 Methods and compositions for transdermal delivery SPRAYABLE HOLDINGS, INC. (US) 2018-05-08 US disclosed
US-9949952-B2 Methods and compositions for transdermal delivery SPRAYABLE HOLDINGS, INC. (US) 2018-04-24 US disclosed
EP-3116489-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY Yu, Benjamin M. (US) 2017-01-18 EP disclosed
US-20160317435-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORM OF SOLUTIONS OR SUSPENSIONS SPRAYABLE HOLDINGS, INC. 2016-11-03 US disclosed
EP-2964231-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORMS OF SOLUTION OR SUSPENSION Yu, Benjamin M. (US) 2016-01-13 EP disclosed
US-9211249-B2 Methods and compositions for transdermal delivery of caffeine in the form of solutions or suspensions SPRAYABLE HOLDINGS, INC. 2015-12-15 US disclosed
US-20150258065-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY SPRAYABLE HOLDINGS, INC. 2015-09-17 US disclosed
WO-2015138486-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY YU BENJAMIN M (US) 2015-09-17 WO disclosed
US-20150250884-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY SPRAYABLE HOLDINGS, INC. 2015-09-10 US disclosed
WO-2014138708-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORMS OF SOLUTION OR SUSPENSION YU BENJAMIN M (US) 2014-09-12 WO disclosed
US-20140256749-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORM OF SOLUTIONS OR SUSPENSIONS SPRAYABLE HOLDINGS, INC. 2014-09-11 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-20150258065-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY MTNR1A, MTNR1B, CYP27B1 NAAA 920/4885NOD1 3158/4885EPHX1 204/4885
US-20140256749-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORM OF SOLUTIONS OR SUSPENSIONS TES, CCR7, CES2 NAAA 1065/4885NOD1 2125/4885EPHX1 120/4885
US-20150250884-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY VDR, CYP27B1, TTPA NAAA 1564/4885NOD1 3051/4885EPHX1 627/4885
US-20160317435-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORM OF SOLUTIONS OR SUSPENSIONS TES, CCR7, CES2 NAAA 1065/4885NOD1 2125/4885EPHX1 120/4885

“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.