SCHEMBL3630926

SCHEMBL3630926

CCOCCOc1c(C)c(C)c(Br)c(C)c1C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TLR4 O00206 1/20 0.31
CD14 P08571 1/20 0.31
LY96 Q9Y6Y9 1/20 0.31
TSHR P16473 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
SCHEMBL3622755 0.76 TP53 (0.42) ALDH1A1L3MBTL1
SCHEMBL3629720 0.75 TLR4 (0.36) ALDH1A1L3MBTL1TLR4CD14LY96
SCHEMBL583974 0.72 L3MBTL1 (0.35) ALDH1A1L3MBTL1TLR4CD14LY96
SCHEMBL10455272 0.72 CA2 (0.32) L3MBTL1
SCHEMBL7222454 0.72 KMT2A (0.46) ALDH1A1L3MBTL1TLR4CD14LY96
SCHEMBL19816912 0.72 MAPT (0.50) ALDH1A1L3MBTL1
SCHEMBL27082327 0.69 L3MBTL1 (0.47) ALDH1A1L3MBTL1TSHR
SCHEMBL18471319 0.68 RARB (0.36) ALDH1A1L3MBTL1TLR4CD14LY96
SCHEMBL3631558 0.68 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL13960183 0.66 TLR4 (0.33) ALDH1A1TLR4

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 ALDH1A1 495/4885L3MBTL1 3607/4885TLR4 57/4885

“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.