SCHEMBL9949394

SCHEMBL9949394

O=C(O)CC1=Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
TP53 P04637 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ABCB11 O95342 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
CXCL8 P10145 1/20 0.39
MAPK1 P28482 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL2829838 0.80 LMNA (0.59) MAPTCYP1A2CYP3A4CYP2D6DRD2
SCHEMBL10645578 0.79 CYP3A4 (0.46) MAPTCYP1A2CYP3A4CYP2D6DRD2
SCHEMBL5953153 0.77 DRD2 (0.52) MAPTCYP1A2CYP3A4CYP2D6DRD2
SCHEMBL1842504 0.76 DRD2 (0.56) MAPTCYP1A2CYP3A4CYP2D6DRD2
SCHEMBL5953480 0.75 DRD2 (0.50) MAPTCYP1A2CYP3A4CYP2D6DRD2
SCHEMBL962986 0.73 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6DRD2
SCHEMBL7769552 0.72 MAPT (0.43) MAPTCYP1A2CYP3A4CYP2D6DRD2
SCHEMBL4038906 0.71 LMNA (0.71) MAPTCYP1A2CYP3A4CYP2D6DRD2
SCHEMBL2827619 0.71 LMNA (0.59) MAPTCYP1A2CYP3A4CYP2D6DRD2
Oxalic Acid SCHEMBL9472240 0.70 DRD2 (0.43) MAPTCYP1A2CYP3A4CYP2D6DRD2

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-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

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 MAPT 2883/4885CYP1A2 24/4885CYP3A4 34/4885

“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.