SCHEMBL4447010

SCHEMBL4447010

C[CH]Cc1ccc(C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
TYR P14679 2/20 0.43
PYCR1 P32322 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL17477260 0.94 IDO1 (0.44) IDO1TYRPYCR1BCHEACHE
SCHEMBL9154630 0.82 ALDH1A1 (0.39) IDO1SMN1; SMN2ALDH1A1ALOX15ALOX12
SCHEMBL407257 0.81 TYR (0.54) IDO1TYRPYCR1BCHEACHE
SCHEMBL1611753 0.79 IDO1 (0.47) IDO1TYRPYCR1BCHEACHE
SCHEMBL7193434 0.79 ALDH1A1 (0.52) IDO1TYRPYCR1BCHEACHE
Hydrochloric Acid SCHEMBL5197217 0.79 TYR (0.52) IDO1TYRPYCR1BCHEACHE
SCHEMBL6524021 0.76 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTCYP2C9
SCHEMBL1612434 0.76 IDO1 (0.48) IDO1TYRPYCR1BCHEACHE
SCHEMBL283317 0.75 IDO1 (0.52) IDO1TYRPYCR1BCHEACHE
SCHEMBL2123502 0.75 IDO1 (0.46) IDO1L3MBTL1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US claimed
EP-1052968-B1 ALPHA-AMIDES OF(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2007-12-05 EP claimed
EP-1047391-A4 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2005-01-19 EP claimed
EP-1052968-A4 $g(a)-AMIDES OF $i(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS GILLETTE CO (US) 2004-09-15 EP claimed
US-20040171516-A1 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2004-09-02 US claimed
EP-1390337-A1 PRECURSORS FOR KETONES AND ALDEHYDES Givaudan SA (CH) 2004-02-25 EP claimed
WO-2002096850-A1 PRECURSORS FOR KETONES AND ALDEHYDES GIVAUDAN SA (CH) 2002-12-05 WO claimed
EP-1262473-A1 Precursors for fragrant ketones and fragrant aldehydes Givaudan SA (CH) 2002-12-04 EP claimed
US-6238655-B1 USEFUL IN THE FORMULATION OF DEODORANTS, ANTIPERSPIRANTS, BODY SPRAYS, AND OTHER SKIN TREATMENT COMPOSITIONS. THE GILLETTE COMPANY 2001-05-29 US claimed
EP-1052968-A1 $g(a)-AMIDES OF $i(L)-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-22 EP claimed
EP-1047391-A1 ALPHA-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 2000-11-02 EP claimed
US-5932198-A α-amides of L-amino acids as fragrance precursors THE GILLETTE COMPANY (US) 1999-08-03 US claimed
WO-1999030680-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO claimed
WO-1999030679-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO claimed
CN-107429109-B The pattern forming method of resin combination and the use resin combination and the synthetic method of polymer 日产化学工业株式会社 2019-10-11 CN disclosed
CN-104246975-B Impression materials with low knockout press 日产化学工业株式会社 2018-03-30 CN disclosed
CN-107429109-A The pattern formation method of resin combination and the use resin combination and the synthetic method of polymer 日产化学工业株式会社 2017-12-01 CN disclosed
WO-1999030679-A1 α-AMIDES OF L-AMINO ACIDS AS FRAGRANCE PRECURSORS THE GILLETTE COMPANY (US) 1999-06-24 WO disclosed
EP-0815833-A2 Malodour preventing agents GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 EP disclosed
EP-0061037-A1 Fungicides based on 1,2-oxazolyl phosphates, and the use of these active agents in combating fungi BASF Aktiengesellschaft (DE) 1982-09-29 EP 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 (1 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-20040171516-A1 Precursors for ketones and aldehydes PDK3, PDK4, AKR1C4 IDO1 2737/4885TYR 1436/4885PYCR1 98/4885

“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.