SCHEMBL3134935

SCHEMBL3134935

CCC(Nc1ccc(O)c(C)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
AR P10275 3/20 0.39
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ALDH1A1 P00352 3/20 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
SCHEMBL2283372 0.87 GAA (0.42) GAAKDM4EMAPTMAPK1RAB9A
SCHEMBL3143472 0.83 SHBG (0.42) GAAKDM4EMAPTMAPK1RAB9A
SCHEMBL11196579 0.78 ALDH1A1 (0.47) GAAKDM4EMAPTMAPK1RAB9A
SCHEMBL734621 0.76 CYP3A4 (0.53) GAAKDM4EMAPTMAPK1RAB9A
SCHEMBL3142287 0.76 ALDH1A1 (0.49) GAAKDM4EMAPTMAPK1RAB9A
SCHEMBL5342235 0.75 RAB9A (0.50) GAAKDM4EMAPTMAPK1RAB9A
SCHEMBL5342232 0.75 RAB9A (0.50) GAAKDM4EMAPTMAPK1RAB9A
SCHEMBL5377321 0.75 RAB9A (0.50) GAAKDM4EMAPTMAPK1RAB9A
SCHEMBL4526295 0.74 ALDH1A1 (0.50) GAAKDM4EMAPTMAPK1RAB9A
SCHEMBL8635820 0.74 ALDH1A1 (0.50) GAAKDM4EMAPTMAPK1RAB9A

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-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 GAA 3133/4885KDM4E 2010/4885MAPT 4866/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 GAA 3249/4885KDM4E 988/4885MAPT 4163/4885

“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.