SCHEMBL3820331

SCHEMBL3820331

C=CCCCCCCCCCCCC1OC1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ABCC4 O15439 1/20 0.38
MAPT P10636 1/20 0.38
ABHD16A O95870 1/20 0.36
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 2/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
FAAH O00519 1/20 0.33
CYP3A4 P08684 1/20 0.33
TRPA1 O75762 1/20 0.31

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
SCHEMBL1364078 0.98 TSHR (0.37) TSHRABCC4MAPTABHD16AALDH1A1
SCHEMBL3798152 0.98 TSHR (0.37) TSHRABCC4MAPTABHD16AALDH1A1
SCHEMBL3981398 0.96 TSHR (0.33) TSHRABCC4MAPTABHD16AALDH1A1
SCHEMBL3977462 0.89 FAAH (0.38) TSHRABCC4MAPTALDH1A1FAAH
SCHEMBL5501614 0.83 FAAH (0.31) ABCC4MAPTABHD16AFAAH
SCHEMBL28559593 0.82
SCHEMBL9334026 0.81 TSHR (0.39) TSHRABHD16AFAAH
SCHEMBL5501498 0.81 FAAH (0.31) FAAH
SCHEMBL1364944 0.80 FAAH (0.34) FAAH
SCHEMBL12395555 0.77 DAGLA (0.44) ABCC4MAPTABHD16A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383834-B2 Process for preparing unsaturated lactones SYMRISE AG (DE) 2013-02-26 US disclosed
US-20090306411-A1 PROCESS FOR PREPARING UNSATURATED LACTONES SYMRISE GMBH & CO. KG (DE) 2009-12-10 US disclosed
WO-2005113533-A9 PROCESS FOR PREPARING UNSATURATED LACTONES SYMRISE GMBH & CO. KG (DE) 2009-09-24 WO disclosed
EP-1747211-B1 PROCESS FOR PREPARING UNSATURATED LACTONES SYMRISE GMBH & CO KG (DE) 2009-08-26 EP disclosed
EP-1747211-A1 PROCESS FOR PREPARING UNSATURATED LACTONES Akzo Nobel N.V. (NL) 2007-01-31 EP disclosed
WO-2005113533-A1 PROCESS FOR PREPARING UNSATURATED LACTONES SYMRISE GMBH & CO. KG (DE) 2005-12-01 WO disclosed
EP-0889945-A1 FRAGRANT MACROCYCLIC LACTONES FIRMENICH SA (CH) 1999-01-13 EP disclosed
WO-1997032948-A1 FRAGRANT MACROCYCLIC LACTONES FIRMENICH S.A. (CH) 1997-09-12 WO 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-20090306411-A1 PROCESS FOR PREPARING UNSATURATED LACTONES ALOX5, ALOX12, ALOX15 TSHR 3488/4885ABCC4 4129/4885MAPT 4839/4885

“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.