SCHEMBL2214831

SCHEMBL2214831

[c]1cccc2c(-c3ccc4ccoc4c3)coc12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.33
PIN1 Q13526 1/20 0.31
HTR1B P28222 1/20 0.30
MIF P14174 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL21295696 0.77 PIN1 (0.41) GPR84PIN1PTPN1
SCHEMBL547208 0.73 PTPN1 (0.36) PTPN1
SCHEMBL28274316 0.70 PTPN1 (0.37) HTR1BPTPN1
SCHEMBL21297634 0.70 GSK3B (0.37)
SCHEMBL21295661 0.70 PSMD14 (0.44) GPR84
SCHEMBL29756248 0.69 DYRK1A (0.50) HTR1B
SCHEMBL18574533 0.69 PIN1 (0.41) PIN1HTR1BMIF
SCHEMBL30646399 0.66 DYRK1A (0.48) PTPN1
SCHEMBL891207 0.66 DYRK1A (0.48) PTPN1
SCHEMBL9126332 0.66 ALDH1A1 (0.47) MIF

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
US-20090176840-A1 USE OF GALR3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS KONKEL MICHAEL 2009-07-09 US claimed
US-8357706-B2 Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2013-01-22 US disclosed
US-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-21 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-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 GPR84 98/4885PIN1 1534/4885HTR1B 385/4885
US-20090176840-A1 USE OF GALR3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY AND COMPOUNDS USEFUL IN SUCH METHODS GALR3, GALR1, GALR2 GPR84 159/4885PIN1 2554/4885HTR1B 91/4885

“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.