SCHEMBL809519

SCHEMBL809519

CC(C=O)(Sc1ccccc1)Sc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MGLL Q99685 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 10/20 0.33
LMNA P02545 3/20 0.33
USP2 O75604 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAPK1 P28482 4/20 0.32
GAA P10253 3/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL809474 0.82 HPGD (0.36) HPGDMAPTSMN1; SMN2MGLLHSD17B10
SCHEMBL1453180 0.79 MAPT (0.38) HPGDMAPTSMN1; SMN2MGLLHSD17B10
SCHEMBL1107766 0.72 MAPT (0.45) HPGDMAPTSMN1; SMN2MGLLHSD17B10
SCHEMBL575613 0.72 HSD17B10 (0.45) HPGDMAPTSMN1; SMN2MGLLHSD17B10
Fluoride SCHEMBL777953 0.70 HSD17B10 (0.43) HPGDMAPTSMN1; SMN2MGLLHSD17B10
Fluoride SCHEMBL1335636 0.70 HSD17B10 (0.43) HPGDMAPTSMN1; SMN2MGLLHSD17B10
SCHEMBL1111636 0.69 HPGD (0.41) HPGDMAPTSMN1; SMN2MGLLHSD17B10
SCHEMBL21011381 0.69 MAPT (0.41) HPGDMAPTSMN1; SMN2MGLLHSD17B10
SCHEMBL19622359 0.69 MAPT (0.41) HPGDMAPTSMN1; SMN2MGLLHSD17B10
SCHEMBL7529152 0.69 MAPT (0.41) HPGDMAPTSMN1; SMN2MGLLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 HPGD 868/4885MAPT 4442/4885SMN1; SMN2 3982/4885

“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.