SCHEMBL804299

SCHEMBL804299

COc1ccccc1OCCCCOc1ccc2c(=O)n(C3CCCC3)sc2c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.67
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NOD2 Q9HC29 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ADRB2 P07550 1/20 0.38
TSHR P16473 1/20 0.38
FKBP5 Q13451 1/20 0.38

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
SCHEMBL804302 0.87 MPI (0.65) MPICYP1A2CYP2C9
SCHEMBL787280 0.87 MPI (0.60) MPICYP1A2CYP2C9PDE4APDE4B
SCHEMBL787586 0.85 MPI (0.58) MPICYP1A2CYP2C9KMT2APDE4A
SCHEMBL787130 0.81 MPI (1.00) MPICYP1A2CYP2C9
SCHEMBL2379388 0.80 MPI (0.53) MPICYP1A2CYP2C9PDE4APDE4B
SCHEMBL805879 0.80 CYP1A2 (0.58) MPICYP1A2CYP2C9KMT2A
SCHEMBL805880 0.79 MPI (0.60) MPICYP1A2CYP2C9KMT2AMEN1
SCHEMBL2371330 0.75 MPI (0.59) MPICYP1A2CYP2C9
SCHEMBL11535084 0.74 MPI (0.55) MPICYP1A2CYP2C9ALDH1A1
SCHEMBL804655 0.73 CYP2C9 (0.76) MPICYP1A2CYP2C9

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-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 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-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS GRM2, GRM1, GRIN2C MPI 4265/4885CYP1A2 3286/4885CYP2C9 3909/4885

“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.