SCHEMBL7519558

SCHEMBL7519558

CCCCC[C@H](C)OC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.61
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
ALDH1A1 P00352 1/20 0.49
CA1 P00915 2/20 0.47
TSHR P16473 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
TBXA2R P21731 1/20 0.47
GALR3 O60755 1/20 0.45
MAPT P10636 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAAA Q02083 1/20 0.44
LMNA P02545 2/20 0.44
TRPV1 Q8NER1 1/20 0.43
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL7519301 1.00 FAAH (0.61) FAAHCNR1CNR2ALDH1A1CA1
SCHEMBL1301645 1.00 FAAH (0.61) FAAHCNR1CNR2ALDH1A1CA1
SCHEMBL4441166 0.98 FAAH (0.64) FAAHCNR1CNR2ALDH1A1TSHR
SCHEMBL1302873 0.98 FAAH (0.64) FAAHCNR1CNR2ALDH1A1TSHR
SCHEMBL2362639 0.98 FAAH (0.64) FAAHCNR1CNR2ALDH1A1TSHR
SCHEMBL8977425 0.98 FAAH (0.64) FAAHCNR1CNR2ALDH1A1TSHR
SCHEMBL8994194 0.98 FAAH (0.64) FAAHCNR1CNR2ALDH1A1TSHR
SCHEMBL5317209 0.98 FAAH (0.64) FAAHCNR1CNR2ALDH1A1TSHR
SCHEMBL2354813 0.98 FAAH (0.64) FAAHCNR1CNR2ALDH1A1TSHR
SCHEMBL1198795 0.98 FAAH (0.64) FAAHCNR1CNR2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608254-B2 Pheromones and method of preventing infestation of Contarinia nasturtii FORSKARPATENT I SYD AB (SE) 2009-10-27 US disclosed
US-20020119909-A1 Preparation of enantiomerically enriched flavor and fragrance components RHODIA CHIREX, INC. 2002-08-29 US disclosed
WO-2002057227-A2 PROCESS OF ENANTIOMERICALLY ENRICHED FLAVOR AND FRAGRANCE COMPONENTS RHODIA/CHIREX, INC. (US) 2002-07-25 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-20020119909-A1 Preparation of enantiomerically enriched flavor and fragrance components NISCH, FASTKD5, NOTUM FAAH 217/4885CNR1 493/4885CNR2 766/4885

“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.