SCHEMBL3373804

SCHEMBL3373804

CCSc1ccc(OCC(C)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PLA2G4B P0C869 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
TSHR P16473 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
SCHEMBL17285623 0.83 ALDH1A1 (0.64) HPGDMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL2955123 0.82 HPGD (0.50) HPGDMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL3401075 0.81 MAOB (0.53) HPGDMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5793633 0.78 LMNA (0.53) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL19249734 0.77 HPGD (0.46) HPGDMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL10794257 0.77 SMN1; SMN2 (0.46) HPGDMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL18883698 0.77 NQO1 (0.64) HPGDMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL10426864 0.76 NPSR1 (0.61) HPGDMAPTALDH1A1LMNANPSR1
SCHEMBL17285627 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHR
SCHEMBL19658290 0.76 PLA2G4B (0.51) HPGDALDH1A1SMN1; SMN2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656347-B1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2010-10-13 EP disclosed
US-7709521-B2 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20060264444-A1 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1656347-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES Astrazeneca AB (SE) 2006-05-17 EP disclosed
WO-2005019171-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2005-03-03 WO 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-20060264444-A1 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases IDO1, IDO2, TPH1 HPGD 112/4885MAPT 1916/4885ALDH1A1 389/4885

“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.