SCHEMBL6491673

SCHEMBL6491673

CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCCC2=O)c(Cl)c1OCCn1ncnn1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6480268 0.98 ALDH1A1 (0.30) ALDH1A1MAPK1HTT
SCHEMBL6491373 0.89
SCHEMBL6481157 0.85 POLB (0.33)
SCHEMBL6480542 0.84 KMT2A (0.34) ALDH1A1MAPK1HTT
SCHEMBL6479315 0.84 POLB (0.33)
SCHEMBL6482294 0.84 POLB (0.33)
SCHEMBL6491370 0.83
SCHEMBL6479779 0.82 MAPK1 (0.33) ALDH1A1MAPK1HTT
SCHEMBL6492543 0.82
SCHEMBL6450192 0.81 ALDH1A1 (0.30) ALDH1A1MAPK1HTT

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-20050222247-A1 Chroman derivatives BAYER HEALTHCARE AG (DE) 2005-10-06 US disclosed
US-20050090398-A1 Novel tetrazole derivative useful as herbicides YANAGI AKIHIKO (JP) 2005-04-28 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-20050222247-A1 Chroman derivatives CHRM3, CHRNB3, ADRB3 ALDH1A1 1115/4885MAPK1 1288/4885HTT 2335/4885
US-20050090398-A1 Novel tetrazole derivative useful as herbicides DDT, TTI1, CYP1A1 ALDH1A1 533/4885MAPK1 2914/4885HTT 616/4885

“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.