SCHEMBL13469009

SCHEMBL13469009

CCCCNCCCCC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SOAT1 P35610 2/20 0.50
MEN1 O00255 1/20 0.50
FAAH O00519 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
PAOX Q6QHF9 3/20 0.48
KDM4E B2RXH2 2/20 0.46
EPHX1 P07099 2/20 0.45
ALOX15 P16050 1/20 0.45
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH7 P40394 1/20 0.44
S1PR2 O95136 5/20 0.44
S1PR4 O95977 5/20 0.44

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
SCHEMBL22834949 0.98 SOAT1 (0.53) TSHRALDH1A1SOAT1MEN1FAAH
SCHEMBL23929253 0.98 SOAT1 (0.53) TSHRALDH1A1SOAT1MEN1FAAH
SCHEMBL28888916 0.93 SOAT1 (0.59) TSHRALDH1A1SOAT1MEN1FAAH
SCHEMBL28816812 0.93 SOAT1 (0.59) TSHRALDH1A1SOAT1MEN1FAAH
SCHEMBL28375298 0.93 SOAT1 (0.59) TSHRALDH1A1SOAT1MEN1FAAH
SCHEMBL25185288 0.93 SOAT1 (0.59) TSHRALDH1A1SOAT1MEN1FAAH
SCHEMBL10657120 0.93 TSHR (0.50) TSHRALDH1A1SOAT1MEN1FAAH
SCHEMBL16620178 0.93 SOAT1 (0.59) TSHRALDH1A1SOAT1MEN1FAAH
SCHEMBL28928375 0.93 SOAT1 (0.59) TSHRALDH1A1SOAT1MEN1FAAH
SCHEMBL28164599 0.93 SOAT1 (0.59) TSHRALDH1A1SOAT1MEN1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264823-A1 SUBSTITUTED HETEROARYL- AND ARYL-CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE ORYZON GENOMICS S.A. 2012-10-18 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-20120264823-A1 SUBSTITUTED HETEROARYL- AND ARYL-CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE CBR1, CNR1, CBR3 TSHR 1489/4885ALDH1A1 92/4885SOAT1 1908/4885

“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.