SCHEMBL809474

SCHEMBL809474

CC(C)(C=O)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 11/20 0.33
LMNA P02545 3/20 0.33
USP2 O75604 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAPK1 P28482 3/20 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
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 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
SCHEMBL809519 0.82 HPGD (0.36) HPGDMAPTSMN1; SMN2MGLLHSD17B10
SCHEMBL9034856 0.78 HSD11B1 (0.36) MAPTSMN1; SMN2ALDH1A1MAPK1CYP2C9
SCHEMBL575613 0.72 HSD17B10 (0.45) HPGDMAPTSMN1; SMN2MGLLHSD17B10
SCHEMBL1107766 0.72 MAPT (0.45) HPGDMAPTSMN1; SMN2MGLLHSD17B10
SCHEMBL11799983 0.71 LMNA (0.31) LMNAGAAPOLBHTT
Fluoride SCHEMBL777953 0.70 HSD17B10 (0.43) HPGDMAPTSMN1; SMN2MGLLHSD17B10
Fluoride SCHEMBL1335636 0.70 HSD17B10 (0.43) HPGDMAPTSMN1; SMN2MGLLHSD17B10
SCHEMBL1453180 0.70 MAPT (0.38) HPGDMAPTSMN1; SMN2MGLLHSD17B10
SCHEMBL5698850 0.70 KIF11 (0.38) MAPTALDH1A1MAPK1CYP2C19KMT2A
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396698-A1 MANUFACTURE OF ARYLOXYALDEHYDES. ICI PLC (GB) 1990-11-14 EP claimed
WO-1990004580-A1 ARYLOXYALDEHYDES AND THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-03 WO claimed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
EP-1720855-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 US disclosed
EP-1720855-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005085227-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO disclosed
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP disclosed
EP-0396698-B1 MANUFACTURE OF ARYLOXYALDEHYDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-23 EP disclosed
US-5169974-A Process for manufacturing aryloxyaldehydes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-08 US disclosed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed
EP-0396698-A1 MANUFACTURE OF ARYLOXYALDEHYDES. ICI PLC (GB) 1990-11-14 EP disclosed
WO-1990004580-A1 ARYLOXYALDEHYDES AND THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-03 WO disclosed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP disclosed
US-3931331-A PLANT PROTECTION INTERMEDIATES ALLIED CHEMICAL CORPORATION (US) 1976-01-06 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 (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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 HPGD 868/4885MAPT 4442/4885SMN1; SMN2 3982/4885
US-20070185152-A1 Inhibitors of akt activity AKT1, AKT1S1, AKT2 HPGD 3430/4885MAPT 3969/4885SMN1; SMN2 3552/4885

“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.