SCHEMBL3239779

SCHEMBL3239779

O=[C]CCCc1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.50
SLC6A4 P31645 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MGLL Q99685 1/20 0.50
HSPA5 P11021 1/20 0.46
HTR1A P08908 1/20 0.46
AKR1B1 P15121 1/20 0.45
BID P55957 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
BAK1 Q16611 1/20 0.44
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL911041 0.88 TAAR1 (0.54) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL3800530 0.80 TAAR1 (0.65) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL4967651 0.80 TAAR1 (0.65) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL6999612 0.80 MPO (0.50) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL361669 0.79 HSPA5 (0.54) MPOTAAR1HSPA5HTR1AAKR1B1
SCHEMBL10438887 0.78 TAAR1 (0.62) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL8402231 0.78 MGLL (0.66) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL8398317 0.78 MGLL (0.66) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL8401980 0.78 MGLL (0.66) MPOSLC6A4TAAR1MGLLHSPA5
SCHEMBL8401990 0.78 MGLL (0.66) MPOSLC6A4TAAR1MGLLHSPA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 MPO 1145/4885SLC6A4 2833/4885TAAR1 436/4885

“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.