SCHEMBL5674402

SCHEMBL5674402

CCCCc1cc2c(C(=O)OC)cccc2o1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.46
MTNR1B P49286 10/20 0.46
ALOX15 P16050 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 1/20 0.42
CES2 O00748 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL3249588 0.85 MTNR1A (0.48) MTNR1AMTNR1BALOX15CES2
SCHEMBL31588806 0.83 KDM4E (0.44) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL5034762 0.79 KDM4E (0.42) MTNR1AMTNR1BNPC1RAB9AKMT2A
SCHEMBL6139382 0.79 STING1 (0.48) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL8170739 0.79 ALDH1A1 (0.45) MTNR1AMTNR1BNPC1RAB9AKMT2A
SCHEMBL5723078 0.77 PDE4A (0.49) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL7171635 0.77 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL11842947 0.76 CNR2 (0.47) MTNR1AMTNR1BALOX15NPC1RAB9A
SCHEMBL28382464 0.76 ALOX15 (0.50) MTNR1AMTNR1BALOX15CES2
SCHEMBL1398744 0.76 NPC1 (0.48) NPC1RAB9AKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148240-B2 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method for preparing same and compositions containing same SANOFI-AVENTIS (FR) 2006-12-12 US disclosed
US-6949583-B2 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same SANOFI-SYNTHELABO (FR) 2005-09-27 US disclosed
US-20040010011-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method for preparing same and compositions containing same SANOFI (FR) 2004-01-15 US disclosed
US-20030225100-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same SANOFI (FR) 2003-12-04 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-20040010011-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method for preparing same and compositions containing same ABAT, TNNT2, BCAT1 MTNR1A 3074/4885MTNR1B 2847/4885ALOX15 135/4885
US-20030225100-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same NR2C2, NR4A2, NR5A2 MTNR1A 65/4885MTNR1B 87/4885ALOX15 745/4885

“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.