SCHEMBL787129

SCHEMBL787129

COC(=O)c1cc(-c2cccc(C)c2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.54
AKR1C1 Q04828 1/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.46
CNR1 P21554 1/20 0.46
ERCC5 P28715 2/20 0.44
FEN1 P39748 2/20 0.44
SLC6A3 Q01959 2/20 0.44
SLC6A4 P31645 1/20 0.44
PDK2 Q15119 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL787118 0.83 AKR1C2 (0.70) AKR1C2AKR1C1LMNAALDH1A1ERCC5
SCHEMBL844384 0.82 MEN1 (0.54) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL13525215 0.82 ALDH1A1 (0.53) AKR1C2AKR1C1KMT2AMEN1MAPT
SCHEMBL28113573 0.81 AKR1C2 (0.56) AKR1C2AKR1C1LMNASMN1; SMN2CNR1
SCHEMBL787287 0.80 CYP4F2 (0.59) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL31350062 0.80 MEN1 (0.49) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL31350078 0.80 MEN1 (0.49) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL31312075 0.80 CYP4F2 (0.59) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL31298127 0.78 EGFR (0.60) SMN1; SMN2MAPTKDM4EALDH1A1TSHR
SCHEMBL6138470 0.78 EGFR (0.60) SMN1; SMN2MAPTKDM4EALDH1A1TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025006553-A1 METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2025-01-02 WO disclosed
WO-2024263563-A1 METABOTROPIC GLUTAMATE SUBTYPE-2 AND -3 RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2024-12-26 WO 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
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 AKR1C2 4832/4885AKR1C1 4866/4885KMT2A 446/4885

“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.