SCHEMBL804683

SCHEMBL804683

COc1cc(C)ccc1OCCCCBr

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL4 Q8NA19 1/20 0.67
L3MBTL3 Q96JM7 1/20 0.67
L3MBTL1 Q9Y468 14/20 0.63
MAPT P10636 12/20 0.63
HPGD P15428 6/20 0.63
RAB9A P51151 5/20 0.63
NPC1 O15118 4/20 0.63
CYP2C9 P11712 3/20 0.63
CYP2C19 P33261 3/20 0.63
CYP1A2 P05177 2/20 0.63
ALDH1A1 P00352 2/20 0.61
POLB P06746 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
MEN1 O00255 1/20 0.61
USP2 O75604 1/20 0.61
ALOX12 P18054 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.59
CYP3A4 P08684 1/20 0.59

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
SCHEMBL2002013 0.95 L3MBTL1 (0.65) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL1998887 0.89 L3MBTL1 (0.65) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL3814694 0.88 ACHE (0.59) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL11326840 0.83 L3MBTL4 (0.67) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL7639935 0.82 TSHR (0.60) L3MBTL4L3MBTL3L3MBTL1HPGDRAB9A
SCHEMBL10107391 0.82 L3MBTL1 (0.70) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL10695477 0.82 ACHE (0.61) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL11890493 0.82 L3MBTL4 (0.66) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL3373256 0.82 L3MBTL1 (0.67) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD
SCHEMBL24266488 0.81 L3MBTL4 (0.65) L3MBTL4L3MBTL3L3MBTL1MAPTHPGD

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 L3MBTL4 2945/4885L3MBTL3 3149/4885L3MBTL1 2521/4885

“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.