SCHEMBL7672129

SCHEMBL7672129

CC(C)NCCCCC=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HIF1A Q16665 1/20 0.41
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
ADH1B P00325 4/20 0.36
ADH1A P07327 4/20 0.36
ADH7 P40394 3/20 0.36
ADH1C P00326 3/20 0.36
EPHX1 P07099 1/20 0.34
ADH4 P08319 1/20 0.34
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL32670245 0.98 TSHR (0.46) TSHRHIF1AFAAHTRPV1ADH1B
SCHEMBL6370656 0.93
SCHEMBL2385629 0.82
SCHEMBL5256334 0.81 ADH1B (0.52) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL17130434 0.80 TSHR (0.43) TSHRHIF1AFAAHTRPV1ADH1B
Hydrochloric Acid SCHEMBL30142886 0.80
SCHEMBL2600364 0.79 HRH4 (0.43) HRH4HRH3ALDH1A1KDM4E
SCHEMBL13261221 0.79 TSHR (0.46) TSHRHIF1AFAAHTRPV1ADH1B
SCHEMBL25700562 0.78 KDM4E (0.41) FAAHTRPV1HRH4HRH3ALDH1A1
SCHEMBL25566471 0.76 TSHR (0.45) TSHRHRH4HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
US-20080149479-A1 Sensor for Detection of Single Molecules MIDORION AB (SE) 2008-06-26 US disclosed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US disclosed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP disclosed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 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-20080149479-A1 Sensor for Detection of Single Molecules EPCAM, ICAM1, L1CAM TSHR 1541/4885HIF1A 3895/4885FAAH 4533/4885

“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.