SCHEMBL7523181

SCHEMBL7523181

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
FAAH O00519 1/20 0.33
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL7524444 1.00 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL876828 1.00 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL13078322 0.82 ALDH1A1 (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11151140 0.82 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9541778 0.80 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9541781 0.80 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2349785 0.78 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11132859 0.78 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11132854 0.78 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10308347 0.77 TSHR (0.31) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 4515/4885CHRM2 1658/4885CHRM4 789/4885

“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.