SCHEMBL4183057

SCHEMBL4183057

COc1ccc(N2C(=O)[C@H](OCc3ccccc3)[C@@H]2[C@H]2CCCO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
ALDH1A1 P00352 8/20 0.41
TSHR P16473 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
SOAT1 P35610 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KCNA5 P22460 1/20 0.39
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4182608 0.80 HSD11B1 (0.39) ALDH1A1TSHRKMT2AMEN1SOAT1
SCHEMBL13302731 0.77 SOAT1 (0.48) ALDH1A1TSHRKMT2AMEN1PSEN1
SCHEMBL4185767 0.74 SOAT1 (0.46) ALDH1A1TSHRKMT2AMEN1SOAT1
SCHEMBL3335606 0.74 SOAT1 (0.46) ALDH1A1TSHRKMT2AMEN1SOAT1
SCHEMBL13778892 0.74 SOAT1 (0.46) ALDH1A1TSHRKMT2AMEN1SOAT1
SCHEMBL4175343 0.74 SOAT1 (0.46) ALDH1A1TSHRKMT2AMEN1PSEN1
SCHEMBL4178629 0.72 SOAT1 (0.47) ALDH1A1TSHRKMT2AMEN1PSEN1
SCHEMBL4180055 0.72 SOAT1 (0.44) ALDH1A1TSHRKMT2AMEN1SOAT1
SCHEMBL4177579 0.72 SOAT1 (0.44) ALDH1A1TSHRKMT2AMEN1SOAT1
SCHEMBL4177583 0.72 SOAT1 (0.44) ALDH1A1TSHRKMT2AMEN1SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
EP-1942109-A1 TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2008-07-09 EP 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-20090186868-A1 Taxane Compound Having Azetidine Ring Structure ABCC1, AZI2, TPD52L2 GAA 3148/4885ALDH1A1 664/4885TSHR 1443/4885

“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.