SCHEMBL17811539

SCHEMBL17811539

CCCCCC(c1ccc(N(CC)CC)cc1)c1cccc(C(CCCCC)c2ccc(N(CC)CC)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
CNR2 P34972 12/20 0.45
HTR2A P28223 3/20 0.40
HRH1 P35367 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.37
PSMD14 O00487 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10776429 0.89 CNR2 (0.52) SIGMAR1CNR2ALDH1A1TSHRCYP3A4
SCHEMBL17811537 0.86 SIGMAR1 (0.46) SIGMAR1HTR2AHRH1ALDH1A1MAPK1
SCHEMBL14283608 0.80 CNR2 (0.52) SIGMAR1CNR2HTR2AHRH1ALDH1A1
SCHEMBL14283583 0.80 CNR2 (0.52) SIGMAR1CNR2HTR2AHRH1ALDH1A1
SCHEMBL12145187 0.78 ALDH1A1 (0.49) SIGMAR1CNR2ALDH1A1TSHRCYP3A4
SCHEMBL17811540 0.78 SIGMAR1 (0.39) SIGMAR1HTR2AHRH1ALDH1A1MAPK1
SCHEMBL14283586 0.78 ALDH1A1 (0.52) SIGMAR1CNR2ALDH1A1TSHRCYP3A4
SCHEMBL27702362 0.77 SIGMAR1 (0.53) SIGMAR1CNR2HTR2AHRH1ALDH1A1
SCHEMBL10951456 0.77 CYP2C19 (0.53) SIGMAR1CNR2HTR2AHRH1TSHR
SCHEMBL19754081 0.77 SIGMAR1 (0.42) SIGMAR1HTR2AHRH1TSHRCYP3A4

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
US-10005869-B2 Polymerisation initiators TRINSEO EUROPE GMBH (CH) 2018-06-26 US disclosed
US-20160159956-A1 Polymerisation Initiators TRINSEO EUROPE GMBH (CH) 2016-06-09 US disclosed
US-20160159956-A1 Polymerisation Initiators TRINSEO EUROPE GMBH (CH) 2016-06-09 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 (2 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-10005869-B2 Polymerisation initiators ELOVL5, ELOVL3, ELOVL1 SIGMAR1 2592/4885CNR2 1455/4885HTR2A 3689/4885
US-20160159956-A1 Polymerisation Initiators ELOVL5, ELOVL3, ELOVL1 SIGMAR1 2592/4885CNR2 1455/4885HTR2A 3689/4885

“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.