SCHEMBL787576

SCHEMBL787576

COC(=O)c1ccc(OCCCCBr)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
PRSS1 P07477 4/20 0.55
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SMPD1 P17405 3/20 0.51
MGLL Q99685 1/20 0.51
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL1743723 0.99 MAPT (0.57) MAPTPRSS1TSHRKMT2ACYP1A2
SCHEMBL4376688 0.97 MAPT (0.59) MAPTPRSS1TSHRKMT2ACYP1A2
SCHEMBL30506582 0.94 MAPT (0.59) MAPTPRSS1TSHRKMT2ASMPD1
SCHEMBL25293543 0.94 MAPT (0.59) MAPTPRSS1TSHRKMT2ASMPD1
SCHEMBL2591943 0.93 MAPT (0.60) MAPTPRSS1TSHRKMT2ACYP1A2
SCHEMBL5767014 0.92 MAPT (0.64) MAPTPRSS1TSHRKMT2ACYP1A2
SCHEMBL14705177 0.91 MAPT (0.59) MAPTPRSS1TSHRKMT2ACYP1A2
SCHEMBL2149738 0.91 MAPT (0.66) MAPTPRSS1TSHRKMT2ACYP1A2
SCHEMBL4375986 0.88 MAPT (0.59) MAPTPRSS1TSHRKMT2ACYP1A2
SCHEMBL14930505 0.88 SMPD1 (0.65) MAPTPRSS1TSHRKMT2ACYP1A2

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-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
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
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 US disclosed
WO-2011116356-A2 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-22 WO disclosed
WO-2011116356-A2 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-22 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-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS GRM2, GRM1, GRIN2C MAPT 998/4885PRSS1 4544/4885TSHR 535/4885

“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.