SCHEMBL217813

SCHEMBL217813

CCCCC(C)(C)OCCCC=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.33
HIF1A Q16665 1/20 0.33
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH7 P40394 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30

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
SCHEMBL20648168 0.87 TSHR (0.41) TSHRFAAHTRPV1ALDH1A1
SCHEMBL12526532 0.86 HIF1A (0.35) TSHRMAPTHIF1A
SCHEMBL10949134 0.82 TSHR (0.42) TSHRFAAHTRPV1ALDH1A1MAPT
SCHEMBL30940577 0.81 ADRB2 (0.38) TSHRALDH1A1
SCHEMBL217042 0.80 MAPT (0.32) TSHRALDH1A1MAPT
SCHEMBL11151956 0.79 TSHR (0.46) TSHRFAAHTRPV1ALDH1A1MAPT
SCHEMBL18649997 0.79 MAPT (0.30) MAPT
SCHEMBL21558217 0.79 MAPT (0.33) ALDH1A1MAPT
SCHEMBL216781 0.78 MAPT (0.33) TSHRMAPT
SCHEMBL216780 0.78 MAPT (0.33) TSHRMAPT

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-8088725-B2 Fragrance compositions and compounds GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2012-01-03 US disclosed
US-20100132249-A1 Fragrance Compositions and Compounds GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2010-06-03 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 (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-20100132249-A1 Fragrance Compositions and Compounds H1-0, H1-10, H1-5 TSHR 3815/4885FAAH 65/4885TRPV1 294/4885

“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.