SCHEMBL1848023

SCHEMBL1848023

OCC(CO)Sc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MGLL Q99685 1/20 0.41
FFAR1 O14842 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
TRPA1 O75762 3/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GLA P06280 1/20 0.36
CA3 P07451 1/20 0.36

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
SCHEMBL10824975 0.86 TRPA1 (0.41) ALDH1A1MAPK1SMN1; SMN2HSD17B10MAPT
SCHEMBL13653527 0.84 MAOA (0.48) ALDH1A1MAPK1FFAR1MAOAMAOB
SCHEMBL2951282 0.81 MAPT (0.40) ALDH1A1MAPK1SMN1; SMN2MAPTPKM
SCHEMBL19309369 0.80 ALDH1A1 (0.39) ALDH1A1MAPK1SMN1; SMN2HSD17B10MAPT
SCHEMBL9052050 0.78 TRPA1 (0.42) ALDH1A1MAPK1SMN1; SMN2PKMLMNA
SCHEMBL6845929 0.77 ALDH1A1 (0.42) ALDH1A1MAPK1SMN1; SMN2HSD17B10MAPT
SCHEMBL2944252 0.77 MAPK1 (0.36) ALDH1A1MAPK1SMN1; SMN2PKMLMNA
SCHEMBL3128715 0.77 MPO (0.42) ALDH1A1MAPK1SMN1; SMN2MAPTPKM
SCHEMBL23964577 0.75 SMN1; SMN2 (0.38) ALDH1A1MAPK1SMN1; SMN2HSD17B10MAPT
SCHEMBL27804817 0.73 SMN1; SMN2 (0.40) ALDH1A1MAPK1SMN1; SMN2HSD17B10MAPT

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 1367/4885MAPK1 3630/4885SMN1; SMN2 4340/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS ALDH1A1 1500/4885MAPK1 3413/4885SMN1; SMN2 2161/4885

“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.