SCHEMBL1848409

SCHEMBL1848409

OCC(O)c1ccc2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HSD17B10 Q99714 2/20 0.59
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NCF1 P14598 3/20 0.41
CYP1A2 P05177 2/20 0.41
NOS2 P35228 1/20 0.41
BACE1 P56817 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
AR P10275 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PRNP P04156 1/20 0.38

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
SCHEMBL31376529 1.00 ALDH1A1 (0.59) ALDH1A1HSD17B10MAPTTP53LMNA
SCHEMBL11303209 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10MAPTTP53LMNA
SCHEMBL6848182 0.83 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPTTP53LMNA
SCHEMBL5974672 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPTTP53LMNA
SCHEMBL1261383 0.80 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPTTP53LMNA
SCHEMBL10020390 0.79 ALDH1A1 (0.53) ALDH1A1HSD17B10MAPTTP53LMNA
SCHEMBL28320052 0.79 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPTTP53LMNA
SCHEMBL18704072 0.79 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPTTP53LMNA
SCHEMBL5336216 0.79 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPTTP53LMNA
SCHEMBL6281283 0.79 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPTTP53LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2011-08-04 US disclosed
EP-2323974-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO Ube Industries, Ltd. (JP) 2011-05-25 EP disclosed
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 US disclosed
WO-2010022001-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO IM&T RESEARCH, INC. (US) 2010-02-25 WO 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 (2 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-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto PFAS, AGPS, FDPS ALDH1A1 1367/4885HSD17B10 2519/4885MAPT 4553/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS ALDH1A1 1500/4885HSD17B10 1823/4885MAPT 4585/4885

“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.