SCHEMBL806745

SCHEMBL806745

CC/C(C)=C/Cc1cc(OCOC)c(Br)cc1OCOC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.34
MAPT P10636 1/20 0.33
HTR2A P28223 7/20 0.32
TAAR1 Q96RJ0 3/20 0.32
CYP19A1 P11511 2/20 0.32
LMNA P02545 1/20 0.32
HTR2C P28335 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL15980920 0.89 PTPN1 (0.36) IMPDH2CYP19A1LMNATSHRHSD17B10
SCHEMBL806720 0.85 HTR2A (0.34) IMPDH2MAPTHTR2ATAAR1CYP19A1
SCHEMBL806744 0.84 KDM4E (0.38) IMPDH2MAPTCYP19A1HSD17B10
SCHEMBL806715 0.84 PTPN1 (0.39) IMPDH2MAPT
SCHEMBL15980405 0.83 BACE1 (0.41) MAPTLMNA
SCHEMBL806897 0.78 CYP3A4 (0.38) MAPTHTR2ATAAR1HTR2C
SCHEMBL15980584 0.77 HTR2A (0.40) MAPTHTR2ATAAR1LMNAHTR2C
SCHEMBL15980355 0.74 HTR2A (0.39) MAPTHTR2ATAAR1LMNAHTR2C
SCHEMBL15978364 0.74 APP (0.44) IMPDH2MAPTLMNA
SCHEMBL8512148 0.71 LMNA (0.40) MAPTCYP19A1LMNATSHR

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-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
WO-2012037069-A2 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-03-22 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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY WEE1, WEE2, NOTUM IMPDH2 2395/4885MAPT 4714/4885HTR2A 3956/4885

“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.