SCHEMBL3230247

SCHEMBL3230247

CCCCCCCCCCCCCCCC(=O)NC(C)(C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
ALDH1A1 P00352 3/20 0.53
FAAH O00519 2/20 0.52
HRH3 Q9Y5N1 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
PTPN1 P18031 3/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
ESR1 P03372 1/20 0.48

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
SCHEMBL16620081 1.00 HSP90AA1 (0.53) HSP90AA1ALDH1A1FAAHHRH3MEN1
SCHEMBL8513443 1.00 HSP90AA1 (0.53) HSP90AA1ALDH1A1FAAHHRH3MEN1
SCHEMBL8511093 0.98 HSP90AA1 (0.52) HSP90AA1ALDH1A1FAAHHRH3MEN1
SCHEMBL9373819 0.98 ALDH1A1 (0.55) HSP90AA1ALDH1A1FAAHHRH3MEN1
SCHEMBL9672550 0.92 ALDH1A1 (0.52) HSP90AA1ALDH1A1FAAHHRH3MEN1
SCHEMBL9525579 0.92 ALDH1A1 (0.50) HSP90AA1ALDH1A1FAAHHRH3MEN1
SCHEMBL9527048 0.92 ALDH1A1 (0.50) HSP90AA1ALDH1A1FAAHHRH3MEN1
SCHEMBL16620111 0.90 HRH3 (0.66) FAAHHRH3MEN1KMT2APPARG
SCHEMBL16620112 0.90 HRH3 (0.66) FAAHHRH3MEN1KMT2APPARG
SCHEMBL15680104 0.90 ALDH1A1 (0.52) HSP90AA1ALDH1A1FAAHHRH3MEN1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11122826-B2 Organic compounds GIVAUDAN SA (CH) 2021-09-21 US claimed
US-10660355-B2 2020-05-26 US claimed
CN-105636934-B N- acylated 2- aminoisobutyric acid compound and the perfume compositions comprising them 奇华顿股份有限公司 2019-03-29 CN claimed
EP-3052472-A1 N-ACYLATED 2-AMINOISOBUTYRIC ACID COMPOUNDS AND FLAVOUR COMPOSITIONS CONTAINING THEM Givaudan S.A. (CH) 2016-08-10 EP claimed
US-20160213038-A1 Improvements in or Relating to Organic Compounds GIVAUDAN S.A. (CH) 2016-07-28 US claimed
CN-105636934-A N-acylated 2-aminoisobutyric acid compounds and flavour compositions containing them GIVAUDAN SA 2016-06-01 CN claimed
WO-2015050536-A1 N-ACYLATED 2-AMINOISOBUTYRIC ACID COMPOUNDS AND FLAVOUR COMPOSITIONS CONTAINING THEM GIVAUDAN S.A. (CH) 2015-04-09 WO claimed
US-7544714-B2 Lipid-amino acid conjugates and methods of use UNIVERSITY OF MASSACHUSETTS (US) 2009-06-09 US claimed
US-11122826-B2 Organic compounds GIVAUDAN SA (CH) 2021-09-21 US disclosed
US-11122826-B2 Organic compounds GIVAUDAN SA (CH) 2021-09-21 US disclosed
US-10660355-B2 2020-05-26 US disclosed
US-10660355-B2 2020-05-26 US disclosed
CN-105636934-B N- acylated 2- aminoisobutyric acid compound and the perfume compositions comprising them 奇华顿股份有限公司 2019-03-29 CN disclosed
EP-3052472-A1 N-ACYLATED 2-AMINOISOBUTYRIC ACID COMPOUNDS AND FLAVOUR COMPOSITIONS CONTAINING THEM Givaudan S.A. (CH) 2016-08-10 EP disclosed
WO-2015050536-A1 N-ACYLATED 2-AMINOISOBUTYRIC ACID COMPOUNDS AND FLAVOUR COMPOSITIONS CONTAINING THEM GIVAUDAN S.A. (CH) 2015-04-09 WO disclosed
US-20100069491-A1 LIPID-AMINO ACID CONJUGATES AND METHODS OF USE UNIVERSITY OF MASSACHUSETTS (US) 2010-03-18 US disclosed
US-7544714-B2 Lipid-amino acid conjugates and methods of use UNIVERSITY OF MASSACHUSETTS (US) 2009-06-09 US disclosed
US-20060014820-A1 Lipid-amino acid conjugates and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-01-19 US disclosed
EP-0773778-B1 HAIR STYLING COMPOSITION AND METHOD UNILEVER PLC (GB) 1999-03-31 EP disclosed
US-5656265-A Hair styling composition and method CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1997-08-12 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 (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-20060014820-A1 Lipid-amino acid conjugates and methods of use SLC27A2, SLC27A1, FABP2 HSP90AA1 984/4885ALDH1A1 1858/4885FAAH 470/4885
US-20100069491-A1 LIPID-AMINO ACID CONJUGATES AND METHODS OF USE SLC27A2, SLC27A1, FABP2 HSP90AA1 984/4885ALDH1A1 1858/4885FAAH 470/4885
US-10660355-B2 TAS2R5, TAS2R10, TAS2R1 HSP90AA1 2871/4885ALDH1A1 73/4885FAAH 1040/4885
US-11122826-B2 Organic compounds TAS2R1, TAS2R5, TAS2R10 HSP90AA1 3857/4885ALDH1A1 74/4885FAAH 1272/4885
US-20160213038-A1 Improvements in or Relating to Organic Compounds TAS2R38, TAS2R1, TAS2R5 HSP90AA1 3943/4885ALDH1A1 244/4885FAAH 1218/4885

“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.