SCHEMBL1150792

SCHEMBL1150792

O=C(O)/C=C/CCCCCCOC(=O)Nc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
RECQL P46063 1/20 0.57
TSHR P16473 1/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRNA7 P36544 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 1/20 0.46
SOAT2 O75908 1/20 0.46
SOAT1 P35610 1/20 0.46
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
HPGD P15428 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL1150793 1.00 RAB9A (0.57) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL10817231 0.85 RAB9A (0.75) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL17263428 0.85 RAB9A (0.75) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL1150814 0.84 RAB9A (0.61) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL6506711 0.84 RAB9A (0.61) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL9712853 0.81 RAB9A (0.57) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL10597471 0.80 RAB9A (0.77) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL11325853 0.80 RAB9A (0.63) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL10360236 0.78 PSMB11 (0.55) RAB9ANPC1SMN1; SMN2RECQLTSHR
SCHEMBL1150745 0.78 TDP1 (0.67) RAB9ANPC1SMN1; SMN2TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028746-A1 METHOD FOR THE DECARBOXYLATIVE HYDROFORMYLATION OF ALPHA, BETA- UNSATURATED CARBOXYLIC ACIDS BASF SE (DE) 2011-02-03 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-20110028746-A1 METHOD FOR THE DECARBOXYLATIVE HYDROFORMYLATION OF ALPHA, BETA- UNSATURATED CARBOXYLIC ACIDS PCCA, CBR3, CBR1 RAB9A 3747/4885NPC1 3310/4885SMN1; SMN2 1721/4885

“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.