SCHEMBL10025487

SCHEMBL10025487

CC(=O)OCC(COC(C)=O)Cc1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
BCHE P06276 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
DPP4 P27487 1/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
NLRP3 Q96P20 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34

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
SCHEMBL7630628 0.77 MMP1 (0.53) ALDH1A1KDM4EKMT2AMMP1MMP2
SCHEMBL10025490 0.76 ITGB1 (0.36) ALDH1A1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL10025492 0.75 ITGB1 (0.35) ALDH1A1KMT2ATDP1SMN1; SMN2LMNA
SCHEMBL28022515 0.74 RAD52 (0.49) ALDH1A1KDM4EMMP1MMP2MMP9
SCHEMBL6154419 0.74 ALDH1A1 (0.58) ALDH1A1LMNAPOLB
Ethyl Acetate SCHEMBL27721882 0.72 ALDH1A1 (0.54) ALDH1A1KDM4ETDP1CES2CES1
SCHEMBL5736978 0.71 KMT2A (0.50) ALDH1A1KDM4EKMT2ATDP1SMN1; SMN2
SCHEMBL13541780 0.71 PRKCA (0.43) ALDH1A1KDM4EKMT2AMMP1MMP2
SCHEMBL10025488 0.70 GAA (0.38) ALDH1A1KDM4EKMT2AMMP1MMP2
SCHEMBL695120 0.70 SMN1; SMN2 (0.40) ALDH1A1KDM4EKMT2ASMN1; SMN2DPP4

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-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 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-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L ALDH1A1 2763/4885KDM4E 2466/4885KMT2A 2381/4885

“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.