SCHEMBL21380134

SCHEMBL21380134

CCCCCC(C)CCCCCCCCCCC=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.70
FAAH O00519 2/20 0.61
TRPV1 Q8NER1 2/20 0.61
ACE2 Q9BYF1 1/20 0.52
ADH1B P00325 2/20 0.48
ADH1C P00326 2/20 0.48
ADH1A P07327 2/20 0.48
ADH4 P08319 2/20 0.48
ADH7 P40394 2/20 0.48
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 1/20 0.40
OPRM1 P35372 1/20 0.39
TRPA1 O75762 1/20 0.38
DDAH1 O94760 1/20 0.38
GAPDH P04406 1/20 0.38
MAPT P10636 1/20 0.38
GPR84 Q9NQS5 2/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38

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
SCHEMBL31076288 1.00 TSHR (0.70) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL9114450 1.00 TSHR (0.70) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL296642 1.00 TSHR (0.70) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL8536891 1.00 TSHR (0.70) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL9544428 1.00 TSHR (0.70) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL8534503 1.00 TSHR (0.70) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL23925001 1.00 TSHR (0.70) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL8533349 1.00 TSHR (0.70) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL7508850 1.00 TSHR (0.70) TSHRFAAHTRPV1ACE2ADH1B
SCHEMBL31517108 1.00 TSHR (0.70) TSHRFAAHTRPV1ACE2ADH1B

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
EP-3383200-B1 COMPOSITIONS SYMRISE AG (DE) 2019-11-06 EP claimed
US-20190289886-A1 SUBSTANCE MIXTURES SYMRISE AG (DE) 2019-09-26 US claimed

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-20190289886-A1 SUBSTANCE MIXTURES PNN, NISCH, HES1 TSHR 4289/4885FAAH 1438/4885TRPV1 235/4885

“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.