SCHEMBL6143036

SCHEMBL6143036

COc1ccc(C2COc3cc(OC(=O)C(C)(C)C)ccc3C2(O)Cc2ccc(OCCN3CCCCC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.53
ESR2 Q92731 12/20 0.53
MMP1 P03956 3/20 0.43
MMP9 P14780 3/20 0.43
MMP13 P45452 3/20 0.43
MAOB P27338 1/20 0.42
LTA4H P09960 1/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL6142892 0.93 ESR1 (0.52) ESR1ESR2LTA4HPGRCHRM2
SCHEMBL6142894 0.93 ESR1 (0.52) ESR1ESR2LTA4HPGRCHRM2
SCHEMBL6142890 0.93 ESR1 (0.52) ESR1ESR2LTA4HPGRCHRM2
SCHEMBL6143620 0.86 ALOX15 (0.37) ESR1ESR2ADRA2ASLC6A4KCNH2
SCHEMBL6143520 0.84 HIF1A (0.40) MAOB
Hydrochloric Acid SCHEMBL6490786 0.80 ESR1 (0.52) ESR1ESR2PGRCHRM2HTR1A
SCHEMBL6143511 0.80 ESR1 (0.59) ESR1ESR2
SCHEMBL6143512 0.80 ESR1 (0.59) ESR1ESR2
SCHEMBL6143513 0.80 ESR1 (0.59) ESR1ESR2
SCHEMBL6142703 0.80 ESR1 (0.51) ESR1ESR2PGRCHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951883-B2 2H-1-benzopyran derivatives processes for their preparation and pharmaceutical compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2005-10-04 US disclosed
EP-1355906-B1 2H-1-BENZOPYRAN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF CHIESI FARMA SPA (IT) 2005-01-12 EP disclosed
US-20040106595-A1 2H-1-benzopyran derivatives processes for their preparation and pharmaceutical compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2004-06-03 US disclosed
EP-1355906-A1 2H-1-BENZOPYRAN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.p.A. (IT) 2003-10-29 EP disclosed
EP-1281710-A1 2H-1-benzopyran derivatives, processes for their preparation and pharmaceutical compositions thereof CHIESI FARMACEUTICI S.p.A. (IT) 2003-02-05 EP disclosed
WO-2002059113-A1 2H-1-BENZOPYRAN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2002-08-01 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-20040106595-A1 2H-1-benzopyran derivatives processes for their preparation and pharmaceutical compositions thereof CYP19A1, BRCA1, HPD ESR1 16/4885ESR2 53/4885MMP1 3375/4885

“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.