SCHEMBL972919

SCHEMBL972919

CCCCCC/C(C)=C/C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
TSHR P16473 5/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 7/20 0.38
PPARD Q03181 7/20 0.38
PPARA Q07869 7/20 0.38
HDAC11 Q96DB2 5/20 0.38
PTPN1 P18031 3/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
ESR1 P03372 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
SCHEMBL11720232 1.00 CES2 (0.39) CES2CES1TSHRALDH1A1LMNA
SCHEMBL27978205 1.00 CES2 (0.39) CES2CES1TSHRALDH1A1LMNA
SCHEMBL972921 1.00 CES2 (0.39) CES2CES1TSHRALDH1A1LMNA
SCHEMBL11720229 1.00 CES2 (0.39) CES2CES1TSHRALDH1A1LMNA
SCHEMBL11280146 0.81
SCHEMBL11280138 0.81
SCHEMBL11717387 0.80 CES2 (0.41) CES2CES1TSHRALDH1A1LMNA
SCHEMBL11717383 0.80 CES2 (0.41) CES2CES1TSHRALDH1A1LMNA
SCHEMBL23151826 0.78 CES2 (0.44) CES2CES1TSHRALDH1A1HSD17B10
SCHEMBL2638548 0.78 CES2 (0.44) CES2CES1TSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
WO-2019010265-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20110020251-A1 Ultraviolet-Absorbing Compounds AVOCA LLC 2011-01-27 US claimed
US-11701305-B2 Unit dose sachet comprising a perfume gel composition Spritz, Inc. (US) 2023-07-18 US disclosed
EP-4104815-A1 UNIT DOSE SACHET COMPRISING A PERFUME GEL COMPOSITION Spr1tz, Inc. (US) 2022-12-21 EP disclosed
US-20220395434-A1 UNIT DOSE SACHET COMPRISING A PERFUME GEL COMPOSITION SPR1TZ INC. 2022-12-15 US disclosed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP disclosed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP disclosed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO disclosed
WO-2019010265-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO disclosed
US-8673272-B2 Ultraviolet-absorbing compounds ISP INVESTMENTS INC. (US) 2014-03-18 US disclosed
US-20110020251-A1 Ultraviolet-Absorbing Compounds AVOCA LLC 2011-01-27 US disclosed
EP-1413570-B1 5,7,7-Trimethyloctanenitrile SYMRISE GMBH & CO KG (DE) 2006-05-10 EP disclosed
US-6998378-B2 5,7,7-trimethyloctannitril SYMRISE GMBH & CO. KG (DE) 2006-02-14 US disclosed
US-20040127394-A1 5,7,7-Trimethyloctannitril SYMRISE GMBH & CO. KG (DE) 2004-07-01 US disclosed
EP-1413570-A1 5,7,7-Trimethyloctanenitrile Symrise GmbH & Co. KG (DE) 2004-04-28 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 (2 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-20110020251-A1 Ultraviolet-Absorbing Compounds UFM1, UHRF1, CUTA CES2 2391/4885CES1 3173/4885TSHR 2543/4885
US-20040127394-A1 5,7,7-Trimethyloctannitril API5, TAS2R5, TAAR5 CES2 705/4885CES1 2151/4885TSHR 4490/4885

“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.