SCHEMBL4837178

SCHEMBL4837178

COc1cc(Cl)ccc1OCC1CO1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.60
DRD2 P14416 1/20 0.54
ALDH1A1 P00352 2/20 0.49
GLA P06280 1/20 0.49
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
S1PR4 O95977 1/20 0.43

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
SCHEMBL4674469 1.00 DRD4 (0.60) DRD4DRD2ALDH1A1GLATP53
SCHEMBL4837172 1.00 DRD4 (0.60) DRD4DRD2ALDH1A1GLATP53
SCHEMBL13651762 0.94 DRD4 (0.60) DRD4DRD2ALDH1A1GLA
SCHEMBL11591604 0.94 DRD4 (0.60) DRD4DRD2ALDH1A1GLA
SCHEMBL11592157 0.86 DRD4 (0.61) DRD4DRD2ALDH1A1GLA
SCHEMBL13651811 0.84 ALDH1A1 (0.60) DRD4DRD2ALDH1A1GLATP53
SCHEMBL16923006 0.83 ALDH1A1 (0.57) DRD4ALDH1A1GLATP53CYP3A4
SCHEMBL7966930 0.83 ALDH1A1 (0.54) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL7966929 0.83 ALDH1A1 (0.54) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL7966936 0.83 ALDH1A1 (0.54) ALDH1A1GLATP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642262-B2 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2010-01-05 US disclosed
US-7368608-B2 1-amido-3-(2-hydroxyphenoxy)-2-propanol derivatives and a process for preparing 2-amidomethyl-1,4-benzodioxane derivatives DAISO CO., LTD. (JP) 2008-05-06 US disclosed
US-20060019993-A1 1-Amido-3-(2-hydroxyphenoxy)-2-propanol derivatives and a process for preparing 2-amidomethyl-1,4-benzodioxane derivatives DAISO CO., LTD. (JP) 2006-01-26 US disclosed
US-4110472-A CEREBROVASCULAR INSUFFICIENCY, PSYCHOSTIMULATION BAYER AKTIENGESELLSCHAFT (DE) 1978-08-29 US disclosed
US-4029795-A 4(2' Isoquinolin-1-one)piperidines CIBA-GEIGY CORPORATION (US) 1977-06-14 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-20060019993-A1 1-Amido-3-(2-hydroxyphenoxy)-2-propanol derivatives and a process for preparing 2-amidomethyl-1,4-benzodioxane derivatives CCNL2, CCNA1, CCNK DRD4 713/4885DRD2 849/4885ALDH1A1 438/4885

“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.