SCHEMBL4281305

SCHEMBL4281305

CCOC(=O)COc1cc(C=O)ccc1OCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
IGF1R P08069 1/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TACR2 P21452 1/20 0.44
AKR1C3 P42330 1/20 0.44
FDPS P14324 1/20 0.43
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2008196 0.91 ALDH1A1 (0.69) ALDH1A1KDM4ESMN1; SMN2IGF1RPOLB
SCHEMBL13858849 0.88 ALDH1A1 (0.74) ALDH1A1KDM4ESMN1; SMN2IGF1RPOLB
SCHEMBL3138383 0.85 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2IGF1RTDP1
SCHEMBL1949645 0.84 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2POLBTSHR
SCHEMBL3788224 0.84 ALDH1A1 (0.76) ALDH1A1KDM4ESMN1; SMN2POLBTSHR
Protocatechualdehyde SCHEMBL5782828 0.83 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2POLBTDP1
SCHEMBL16295256 0.82 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2POLBTDP1
SCHEMBL1949360 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2POLBTDP1
SCHEMBL13850149 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2POLBHPGD
SCHEMBL15323873 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2IGF1RTSHR

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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 ALDH1A1 2031/4885KDM4E 3794/4885SMN1; SMN2 2947/4885

“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.