SCHEMBL4445199

SCHEMBL4445199

CCCCOCCOCCCc1cc2c(cc1CCC)OCO2

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.83
CYP3A4 P08684 4/20 0.83
TSHR P16473 1/20 0.83
HPGD P15428 2/20 0.47
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
HTT P42858 2/20 0.36

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
SCHEMBL14519310 0.92 CYP3A4 (0.80) ALDH1A1CYP3A4TSHRHPGDMEN1
SCHEMBL9958244 0.91 CYP3A4 (1.00) ALDH1A1CYP3A4TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL29386186 0.91 CYP3A4 (1.00) ALDH1A1CYP3A4TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL6561910 0.91 CYP3A4 (1.00) ALDH1A1CYP3A4TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL1517385 0.91 CYP3A4 (1.00) ALDH1A1CYP3A4TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL5490 0.91 CYP3A4 (1.00) ALDH1A1CYP3A4TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL1925871 0.89 CYP3A4 (0.97) ALDH1A1CYP3A4TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL11895771 0.89 CYP3A4 (0.97) ALDH1A1CYP3A4TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL9155914 0.89 CYP3A4 (0.97) ALDH1A1CYP3A4TSHRHPGDMEN1
Piperonyl Butoxide SCHEMBL317347 0.89 CYP3A4 (0.97) ALDH1A1CYP3A4TSHRHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209605-A1 NEMATICIDAL COMPOSITIONS DEVGEN N.V. (BE) 2009-08-20 US disclosed
US-20080146445-A1 Nematicidal Compositions DEVGEN NV (BE) 2008-06-19 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-20090209605-A1 NEMATICIDAL COMPOSITIONS ACHE, DNPH1, NANP ALDH1A1 4082/4885CYP3A4 2951/4885TSHR 4743/4885
US-20080146445-A1 Nematicidal Compositions ACHE, DNPH1, NANP ALDH1A1 4082/4885CYP3A4 2951/4885TSHR 4743/4885

“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.