SCHEMBL695063

SCHEMBL695063

CCC=CCC=CCC#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 6/20 0.37
CYP19A1 P11511 4/20 0.37
PPARG P37231 3/20 0.37
OXER1 Q8TDS5 3/20 0.37
MAPT P10636 3/20 0.37
RXRA P19793 2/20 0.37
FFAR1 O14842 2/20 0.37
F7 P08709 3/20 0.34
F3 P13726 3/20 0.34
PPARA Q07869 3/20 0.34
PTGS1 P23219 3/20 0.34
KMT2A Q03164 2/20 0.34
PPARD Q03181 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
NR1I2 O75469 2/20 0.32
PTGS2 P35354 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL28755704 1.00 TSHR (0.48) TSHRALDH1A1CYP19A1PPARGOXER1
SCHEMBL695062 1.00 TSHR (0.48) TSHRALDH1A1CYP19A1PPARGOXER1
SCHEMBL4446100 0.92
SCHEMBL4302760 0.92
SCHEMBL28060049 0.79
SCHEMBL1399912 0.78 TSHR (0.42) TSHROXER1
SCHEMBL1399910 0.78 TSHR (0.42) TSHROXER1
SCHEMBL8581303 0.76
SCHEMBL6473740 0.76
SCHEMBL819793 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230093639-A1 PERFUME SYSTEM FOR PERFUMED CONSUMER PRODUCT FIRMENICH SA (CH) 2023-03-23 US claimed
US-20080032913-A1 Masking of mineral oil odor and fragrancing of mineral oils SYMRISE GMBH & CO. KG (DE) 2008-02-07 US claimed
EP-1884555-A2 Masking mineral oil smell and scenting of mineral oils Symrise GmbH & Co. KG (DE) 2008-02-06 EP claimed
US-20230093639-A1 PERFUME SYSTEM FOR PERFUMED CONSUMER PRODUCT FIRMENICH SA (CH) 2023-03-23 US disclosed
US-11352314-B2 Fruity odorant FIRMENICH SA (CH) 2022-06-07 US disclosed
US-20200339500-A1 FRUITY ODORANT FIRMENICH SA (CH) 2020-10-29 US disclosed
US-10766850-B2 Fruity odorant FIRMENICH SA (CH) 2020-09-08 US disclosed
CN-105916970-B Powdery musk odorant macrocycles 弗门尼舍有限公司 2019-12-10 CN disclosed
US-10246402-B2 Fruity odorant FIRMENICH SA (CH) 2019-04-02 US disclosed
US-20190077743-A1 FRUITY ODORANT FIRMENICH SA (CH) 2019-03-14 US disclosed
EP-3230260-B1 ALIPHATIC NITRILE WITH ROSY ODOR FIRMENICH & CIE (CH) 2018-10-10 EP disclosed
EP-2421815-A1 ACETALS AS PERFUMING INGREDIENTS Firmenich S.A. (CH) 2012-02-29 EP disclosed
US-20120010114-A1 ACETALS AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2012-01-12 US disclosed
US-20110097291-A1 FRUITY ODORANT FIRMENICH SA (CH) 2011-04-28 US disclosed
EP-2288589-A1 FRUITY ODORANT Firmenich S.A. (CH) 2011-03-02 EP disclosed
WO-2010122451-A1 ACETALS AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2010-10-28 WO disclosed
WO-2009147565-A1 FRUITY ODORANT FIRMENICH SA (CH) 2009-12-10 WO disclosed
US-20080032913-A1 Masking of mineral oil odor and fragrancing of mineral oils SYMRISE GMBH & CO. KG (DE) 2008-02-07 US disclosed
EP-1884555-A2 Masking mineral oil smell and scenting of mineral oils Symrise GmbH & Co. KG (DE) 2008-02-06 EP disclosed
US-4235824-A FROM BUTYNE-1, ACROLEIN, AND AN ALCOHOL NAARDEN INTERNATIONAL N.V. (NL) 1980-11-25 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 (8 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-20190077743-A1 FRUITY ODORANT C5, TAS1R3, TAS1R1 TSHR 3998/4885ALDH1A1 142/4885CYP19A1 1135/4885
US-20120010114-A1 ACETALS AS PERFUMING INGREDIENTS CBR1, CBR3, C9 TSHR 4509/4885ALDH1A1 131/4885CYP19A1 501/4885
US-20230093639-A1 PERFUME SYSTEM FOR PERFUMED CONSUMER PRODUCT PORCN, FAAH2, FASN TSHR 4659/4885ALDH1A1 817/4885CYP19A1 838/4885
US-20110097291-A1 FRUITY ODORANT C5, TAS1R3, TAS2R1 TSHR 3820/4885ALDH1A1 171/4885CYP19A1 1163/4885
US-11352314-B2 Fruity odorant C5, TAS1R3, TAS1R1 TSHR 3998/4885ALDH1A1 142/4885CYP19A1 1135/4885
US-10766850-B2 Fruity odorant C5, TAS1R3, TAS1R1 TSHR 3998/4885ALDH1A1 142/4885CYP19A1 1135/4885
US-10246402-B2 Fruity odorant C5, TAS1R3, TAS2R1 TSHR 3682/4885ALDH1A1 266/4885CYP19A1 1497/4885
US-20200339500-A1 FRUITY ODORANT C5, TAS1R3, TAS1R1 TSHR 3998/4885ALDH1A1 142/4885CYP19A1 1135/4885

“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.