SCHEMBL17449155

SCHEMBL17449155

CCCCC(CC)CN(C)C1CCC(N(C)CC(CC)CCCC)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
CYP3A4 P08684 5/20 0.45
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 2/20 0.42
PIK3CD O00329 1/20 0.36
CA2 P00918 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL11406309 0.91 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRTDP1PIK3CD
SCHEMBL22563158 0.82 PIK3CD (0.37) PIK3CDADH1CADH1A
SCHEMBL15203126 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL18934415 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL23806708 0.75 LMNA (0.34) PIK3CDADH1CADH1AADH4LMNA
SCHEMBL833730 0.74 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL758600 0.74 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL25110218 0.74 GNAO1 (0.38) KCNH2
SCHEMBL11512656 0.74 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL4375593 0.74 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRTDP1CA2

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-20170158610-A1 NONIONIC SURFACTANT COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC (US) 2017-06-08 US disclosed
US-9382192-B2 Nonionic surfactant compositions DOW GLOBAL TECHNOLOGIES LLC (US) 2016-07-05 US disclosed
US-20160016886-A1 NONIONIC SURFACTANT COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC 2016-01-21 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-20170158610-A1 NONIONIC SURFACTANT COMPOSITIONS SPNS2, SGMS2, SGMS1 ALDH1A1 4568/4885CYP3A4 3610/4885TSHR 2600/4885
US-20160016886-A1 NONIONIC SURFACTANT COMPOSITIONS SPNS2, SGMS2, SGMS1 ALDH1A1 4641/4885CYP3A4 3553/4885TSHR 2643/4885

“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.