SCHEMBL1506571

SCHEMBL1506571

CCOC(=O)[C@H]1CC[C@H](c2ccc(F)c(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
HSD11B1 P28845 1/20 0.46
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1506573 1.00 TSHR (0.50) TSHRKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL13247979 0.82 LGMN (0.49) TSHRKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL3001843 0.82 LGMN (0.49) TSHRKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL3001844 0.82 LGMN (0.49) TSHRKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL13247944 0.81 ALDH1A1 (0.44) TSHRKDM4ESMN1; SMN2POLBALDH1A1
Hydrochloric Acid SCHEMBL2990944 0.81 LGMN (0.48) TSHRKDM4ESMN1; SMN2POLBALDH1A1
Hydrochloric Acid SCHEMBL2990942 0.81 LGMN (0.48) TSHRKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL2548786 0.81 ALDH1A1 (0.51) TSHRKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL13345937 0.80 ALDH1A1 (0.45) TSHRKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL5024448 0.79 NPC1 (0.51) ALDH1A1MEN1KMT2AGAA

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
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP TSHR 3089/4885KDM4E 2213/4885SMN1; SMN2 4767/4885

“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.