SCHEMBL803545

SCHEMBL803545

CCCCOC(=O)C(Cl)c1ccc(C)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ESR1 P03372 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL186750 0.89 MEN1 (0.49) SMN1; SMN2NPC1HPGDRAB9ACYP2C19
SCHEMBL803770 0.86 NPSR1 (0.43) SMN1; SMN2NPC1HPGDRAB9ACYP1A2
SCHEMBL803625 0.83 TAS1R3 (0.46) CYP2C19ALDH1A1LMNATSHRNPSR1
SCHEMBL22435567 0.76 KDM4E (0.61) SMN1; SMN2HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL803623 0.75 NPC1 (0.33) SMN1; SMN2NPC1HPGDRAB9ACYP1A2
SCHEMBL187073 0.75 KMT2A (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL187072 0.75 KMT2A (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL8346171 0.74 L3MBTL1 (0.40) SMN1; SMN2NPC1HPGDRAB9AL3MBTL1
SCHEMBL2420020 0.73 TSHR (0.54) SMN1; SMN2NPC1RAB9ACYP1A2L3MBTL1
SCHEMBL9380921 0.73 SMN1; SMN2 (0.41) SMN1; SMN2NPC1CYP1A2ALDH1A1LMNA

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-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 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-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 SMN1; SMN2 2787/4885NPC1 1252/4885HPGD 1134/4885

“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.