SCHEMBL803770

SCHEMBL803770

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 2/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
ESR1 P03372 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 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

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
SCHEMBL187073 0.89 KMT2A (0.49) NPSR1TSHRBLMSMN1; SMN2CYP1A2
SCHEMBL187072 0.89 KMT2A (0.49) NPSR1TSHRBLMSMN1; SMN2CYP1A2
SCHEMBL803545 0.86 SMN1; SMN2 (0.43) NPSR1TSHRSMN1; SMN2NPC1HPGD
SCHEMBL3840737 0.83 ESR1 (0.46) TSHRSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL8340615 0.81 KEAP1 (0.47) TSHRSMN1; SMN2CYP1A2CYP2C9L3MBTL1
SCHEMBL3835905 0.80 ESR1 (0.46) TSHRSMN1; SMN2NPC1RAB9AESR1
SCHEMBL17766244 0.78 SMN1; SMN2 (0.47) TSHRSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL11860271 0.78 TSHR (0.64) NPSR1TSHRBLMLMNAGAA
SCHEMBL11860283 0.78 TSHR (0.64) NPSR1TSHRBLMLMNAGAA
SCHEMBL186928 0.77 APP (0.51) NPSR1TSHRBLMSMN1; SMN2NPC1

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 NPSR1 4678/4885TSHR 4680/4885BLM 4441/4885

“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.