SCHEMBL5084437

SCHEMBL5084437

COc1cc([C@H]2CC(=O)c3ccccc3O2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.77
CYP19A1 P11511 5/20 0.75
POLB P06746 1/20 0.66
CYP1A1 P04798 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP1B1 Q16678 1/20 0.66
MAOB P27338 3/20 0.65
NPC1 O15118 2/20 0.65
MAPT P10636 2/20 0.65
RAB9A P51151 2/20 0.65
ADORA3 P0DMS8 2/20 0.62
CYP3A4 P08684 1/20 0.62
MAPK1 P28482 1/20 0.62
KDM4E B2RXH2 1/20 0.58
AR P10275 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL5084433 1.00 PTPN1 (0.77) PTPN1CYP19A1POLBCYP1A1CYP1A2
SCHEMBL27183317 0.90 CYP19A1 (0.75) PTPN1CYP19A1CYP1A1CYP1A2CYP1B1
Homoeriodictyol SCHEMBL19127668 0.89 CYP1A1 (0.81) PTPN1CYP19A1POLBCYP1A1CYP1A2
SCHEMBL2966440 0.87 PTPN1 (1.00) PTPN1CYP19A1POLBCYP1A1CYP1A2
SCHEMBL29684675 0.87 PTPN1 (1.00) PTPN1CYP19A1POLBCYP1A1CYP1A2
SCHEMBL31028359 0.87 PTPN1 (1.00) PTPN1CYP19A1POLBCYP1A1CYP1A2
SCHEMBL14003755 0.86 PTPN1 (0.60) PTPN1CYP19A1POLBCYP1A1CYP1A2
SCHEMBL14177145 0.86 PTPN1 (0.70) PTPN1CYP19A1POLBCYP1A1CYP1A2
SCHEMBL6575796 0.84 CYP19A1 (0.73) CYP19A1POLBCYP1A1CYP1A2CYP1B1
SCHEMBL6575800 0.84 CYP19A1 (0.73) CYP19A1POLBCYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 PTPN1 630/4885CYP19A1 214/4885POLB 3941/4885

“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.