SCHEMBL9949099

SCHEMBL9949099

COC(=O)/C(=C\O)c1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 3/20 0.51
ATM Q13315 2/20 0.51
HTT P42858 2/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 2/20 0.50
PNLIP P16233 6/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HTR2A P28223 2/20 0.46
SLC6A4 P31645 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 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
SCHEMBL10093205 1.00 L3MBTL1 (0.51) L3MBTL1ALDH1A1ATMHTTGAA
SCHEMBL9949101 1.00 L3MBTL1 (0.51) L3MBTL1ALDH1A1ATMHTTGAA
SCHEMBL15381594 0.86 KMT2A (0.44) L3MBTL1ALDH1A1ATMHTTGAA
SCHEMBL963842 0.84 L3MBTL1 (0.46) L3MBTL1ALDH1A1ATMHTTGAA
SCHEMBL10093166 0.84 L3MBTL1 (0.46) L3MBTL1ALDH1A1ATMHTTGAA
SCHEMBL963843 0.84 L3MBTL1 (0.46) L3MBTL1ALDH1A1ATMHTTGAA
SCHEMBL22406943 0.83 MAPT (0.55) L3MBTL1ALDH1A1ATMHTTGAA
SCHEMBL8827742 0.81 GRM8 (0.43) L3MBTL1ALDH1A1ATMHTTGAA
SCHEMBL28813465 0.81 MAPT (0.52) L3MBTL1ALDH1A1ATMHTTGAA
SCHEMBL8884935 0.80 HTR2C (0.41) ALDH1A1HTTGAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468751-B1 Processes for the preparation of 5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole MEDICHEM SA (ES) 2016-03-16 EP disclosed
US-8580972-B2 Processes for the preparation of 5-chloro-2-methyl-2,3,3A,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole MEDICHEM, S.A. (ES) 2013-11-12 US disclosed
US-20120165545-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-2-METHYL-2,3,3A,12b-TETRAHYDRO-1H-DIBENZO[2,3:6,7]OXEPINO[4,5-c]PYRROLE MEDICHEM, S.A. (ES) 2012-06-28 US disclosed
EP-2468751-A2 Processes for the preparation of 5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole Medichem, S.A. (ES) 2012-06-27 EP 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-20120165545-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-2-METHYL-2,3,3A,12b-TETRAHYDRO-1H-DIBENZO[2,3:6,7]OXEPINO[4,5-c]PYRROLE DHPS, CYP3A5, ALKBH5 L3MBTL1 4473/4885ALDH1A1 1240/4885ATM 3401/4885

“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.