SCHEMBL15980355

SCHEMBL15980355

COCOc1cc(Br)c(OCOC)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.39
TAAR1 Q96RJ0 3/20 0.39
HTR2C P28335 1/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.36
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL15978366 0.89 SMN1; SMN2 (0.40) HTR2ATAAR1HTR2CMAPTL3MBTL1
SCHEMBL15980810 0.89 L3MBTL1 (0.40) HTR2ATAAR1HTR2CMAPTL3MBTL1
SCHEMBL15980584 0.86 HTR2A (0.40) HTR2ATAAR1HTR2CMAPTLMNA
SCHEMBL8708212 0.85 HTR2A (0.46) HTR2ATAAR1HTR2CL3MBTL1POLB
SCHEMBL26932098 0.84 HTR2A (0.42) HTR2ATAAR1HTR2CMAPTL3MBTL1
SCHEMBL31167218 0.83 ALDH1A1 (0.34) HTR2ATAAR1HTR2CMAPTL3MBTL1
SCHEMBL17546957 0.83 HTR2A (0.38) HTR2ATAAR1HTR2CMAPTALDH1A1
SCHEMBL4379280 0.82 MAPT (0.36) HTR2ATAAR1HTR2CMAPTALDH1A1
SCHEMBL806722 0.82 HTR2A (0.49) HTR2ATAAR1HTR2CPIK3CDABL1
SCHEMBL2370519 0.81 MAPK1 (0.54) MAPTL3MBTL1ALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-08-28 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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY WEE1, WEE2, NOTUM HTR2A 3956/4885TAAR1 4086/4885HTR2C 2664/4885

“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.