SCHEMBL1003112

SCHEMBL1003112

CCOC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc(C3CC3)oc2Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
FAAH O00519 2/20 0.35
NR4A2 P43354 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
DGAT1 O75907 3/20 0.34
SOAT1 P35610 2/20 0.34
CHRM2 P08172 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3267276 0.83 RXRA (0.49) NR4A2RXRARXRBRXRGPDE10A
SCHEMBL1003345 0.79 MAPT (0.40) MAPTPKMPDE10AMEN1KMT2A
SCHEMBL1003049 0.78 FAAH (0.63) FAAH
SCHEMBL1000358 0.74 TSHR (0.48) MAPTPKMMEN1ALDH1A1KMT2A
SCHEMBL6256 0.74 TSHR (0.48) MAPTPKMMEN1ALDH1A1KMT2A
SCHEMBL439856 0.74 TSHR (0.48) MAPTPKMMEN1ALDH1A1KMT2A
SCHEMBL7182 0.74 TSHR (0.48) MAPTPKMMEN1ALDH1A1KMT2A
SCHEMBL6257 0.74 TSHR (0.48) MAPTPKMMEN1ALDH1A1KMT2A
SCHEMBL9820889 0.72 MAPT (0.44) MAPTPKMMEN1ALDH1A1KMT2A
SCHEMBL19182180 0.72 MAPT (0.53) MAPTPKMMEN1KMT2A

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-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME LLC 2011-06-16 US disclosed
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-01-27 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 (2 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-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 MAPT 1377/4885PKM 281/4885FAAH 1/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 MAPT 1378/4885PKM 343/4885FAAH 1/4885

“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.