SCHEMBL3629720

SCHEMBL3629720

CCOCCOc1c(C)c(C)cc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.36
CD14 P08571 1/20 0.36
LY96 Q9Y6Y9 1/20 0.36
NCF1 P14598 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
HTR7 P34969 2/20 0.31
THRA P10827 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
TSHR P16473 1/20 0.30
HTR2A P28223 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
SCHEMBL10328393 0.80 NQO1 (0.38) ALDH1A1KDM4EMAPTLMNATDP1
SCHEMBL7222454 0.76 KMT2A (0.46) TLR4CD14LY96NCF1L3MBTL1
SCHEMBL3630926 0.75 ALDH1A1 (0.31) TLR4CD14LY96L3MBTL1ALDH1A1
SCHEMBL3631171 0.75 ALDH1A1 (0.55) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL19816912 0.72 MAPT (0.50) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL3622755 0.72 TP53 (0.42) NCF1L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL7931642 0.72 NCF1 (0.35) TLR4CD14LY96NCF1L3MBTL1
SCHEMBL15219240 0.70 NCF1 (0.49) NCF1L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL23230343 0.69 MEN1 (0.36) TLR4CD14LY96L3MBTL1ALDH1A1
SCHEMBL15440752 0.68 NCF1 (0.33) TLR4CD14LY96NCF1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 TLR4 57/4885CD14 626/4885LY96 386/4885

“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.