SCHEMBL10093166

SCHEMBL10093166

COC(=O)C(=CO)c1cc(Cl)ccc1Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.46
LMNA P02545 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
PTGER4 P35408 4/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PTGER2 P43116 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
SERPINE1 P05121 1/20 0.43
STK39 Q9UEW8 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL963842 1.00 L3MBTL1 (0.46) L3MBTL1LMNANPSR1HTTALDH1A1
SCHEMBL963843 1.00 L3MBTL1 (0.46) L3MBTL1LMNANPSR1HTTALDH1A1
SCHEMBL15381595 0.88 PTGER4 (0.41) L3MBTL1LMNANPSR1PTGER4SMN1; SMN2
SCHEMBL9949099 0.84 L3MBTL1 (0.51) L3MBTL1LMNANPSR1HTTALDH1A1
SCHEMBL10093205 0.84 L3MBTL1 (0.51) L3MBTL1LMNANPSR1HTTALDH1A1
SCHEMBL9949101 0.84 L3MBTL1 (0.51) L3MBTL1LMNANPSR1HTTALDH1A1
SCHEMBL9948495 0.78 CYP1A2 (0.54) L3MBTL1LMNANPSR1HTTALDH1A1
SCHEMBL22891351 0.77 CYP1A2 (0.57) L3MBTL1LMNANPSR1HTTALDH1A1
SCHEMBL11354413 0.76 CYP1A2 (0.56) L3MBTL1LMNANPSR1HTTALDH1A1
SCHEMBL12505440 0.75 CTNNB1 (0.65) L3MBTL1LMNANPSR1HTTALDH1A1

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
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
US-7875729-B2 Trans-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenz[2,3:6,7]oxepino [4,5-c]pyrrole; good isomeric purity; cyclization SYNTHON BV (NL) 2011-01-25 US disclosed
US-20080214832-A1 Process for making asenapine SYNTHON BV (NL) 2008-09-04 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-20080214832-A1 Process for making asenapine CYP3A5, CYP3A4, CYP2C9 L3MBTL1 4338/4885LMNA 919/4885NPSR1 1234/4885
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 4473/4885LMNA 4222/4885NPSR1 2293/4885

“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.