SCHEMBL18347157

SCHEMBL18347157

NC(Cc1ccc(O)cc1)OC=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
SLC7A5 Q01650 1/20 0.50
SLC6A2 P23975 1/20 0.50
IDO1 P14902 2/20 0.41
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
OPRK1 P41145 1/20 0.39
ABAT P80404 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL10201264 0.81 AGXT (0.39) TAAR1IDO1
SCHEMBL15802699 0.81 EPHX1 (0.56) TAAR1SLC7A5SLC6A2
SCHEMBL17264165 0.81 CSK (0.50) SLC7A5
SCHEMBL12015253 0.77 SLC6A4 (0.32)
SCHEMBL14666766 0.76 NQO1 (0.45)
SCHEMBL14666765 0.76 ITGB3 (0.35)
SCHEMBL21350258 0.75 PTPN1 (0.35)
SCHEMBL1013284 0.75 TAAR1 (0.55) TAAR1SLC7A5SLC6A2ESR1ESR2
SCHEMBL4394050 0.75 TAAR1 (0.61) TAAR1SLC7A5SLC6A2IDO1ESR1
SCHEMBL1013285 0.75 TAAR1 (0.55) TAAR1SLC7A5SLC6A2ESR1ESR2

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-20180064819-A1 Targeting Ligands SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2018-03-08 US disclosed
US-20160376579-A1 NEW ENZYMES AND METHOD FOR PREPARING 4-HYDROXYL BENZYL ALCOHOL AND DERIVATIVES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2016-12-29 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-20180064819-A1 Targeting Ligands FABP1, SNRPE, HAVCR2 TAAR1 3408/4885SLC7A5 3028/4885SLC6A2 4575/4885

“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.