SCHEMBL3623932

SCHEMBL3623932

CCOCCOc1cc(C)c(-c2cc(C=O)ccc2OC(C)C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
MAPT P10636 6/20 0.39
HPGD P15428 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
FDPS P14324 1/20 0.39
ALDH1A3 P47895 1/20 0.37
LMNA P02545 2/20 0.36
DHFR P00374 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3631518 0.84 ALDH1A1 (0.46) ALDH1A1MAPTHPGDPOLBFDPS
SCHEMBL12577687 0.77 ALDH1A3 (0.44) ALDH1A1MAPTHPGDTDP1FDPS
SCHEMBL1099011 0.74 FFAR1 (0.53) FFAR1
SCHEMBL17385805 0.73 FFAR1 (0.40) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL10203744 0.71 FFAR1 (0.42) ALDH1A1HPGDMEN1KMT2AFFAR1
SCHEMBL3624617 0.71 ALDH1A1 (0.58) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL1121408 0.70 ALDH1A1 (0.59) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL12578027 0.69 FFAR1 (0.53) ALDH1A1TDP1ALDH1A3FFAR1SMN1; SMN2
SCHEMBL12476044 0.69 ALDH1A3 (0.53) ALDH1A1MAPTHPGDTDP1FDPS
SCHEMBL3699371 0.69 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMEN1RECQL

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 3 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-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 495/4885MAPT 3293/4885HPGD 2123/4885

“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.