SCHEMBL1949360

SCHEMBL1949360

CCOC(=O)COc1cc(C=O)ccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
ESR1 P03372 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
NTSR1 P30989 1/20 0.44

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 0.89 ALDH1A1 (0.69) ALDH1A1KDM4ESMN1; SMN2USP2CYP1A2
SCHEMBL13850149 0.88 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2USP2CYP1A2
SCHEMBL13858849 0.87 ALDH1A1 (0.74) ALDH1A1KDM4ESMN1; SMN2USP2GAA
SCHEMBL10421723 0.87 ALDH1A1 (0.72) ALDH1A1KDM4ESMN1; SMN2USP2ESR1
SCHEMBL3788224 0.85 ALDH1A1 (0.76) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C19
SCHEMBL1949645 0.85 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C19
SCHEMBL15865546 0.85 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2USP2CYP1A2
SCHEMBL433533 0.85 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C19
SCHEMBL435132 0.84 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2POLBLMNA
SCHEMBL528365 0.84 POLB (0.48) ALDH1A1KDM4ESMN1; SMN2GAATDP1

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
EP-2507237-A1 IMIDAZOQUINOLINES WHICH ACT VIA TOLL - LIKE RECEPTORS (TLR) Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-10-10 EP disclosed
WO-2011068233-A1 IMIDAZOQUINOLINES WHICH ACT VIA TOLL - LIKE RECEPTORS (TLR) DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-06-09 WO disclosed
US-20110136801-A1 Novel Compounds DAINIPPON SUMITOMO PHARMA CO. LTD. (JP) 2011-06-09 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 (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-20110136801-A1 Novel Compounds C1R, RB1, CNKSR1 ALDH1A1 173/4885KDM4E 3006/4885SMN1; SMN2 1340/4885

“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.