SCHEMBL19051925

SCHEMBL19051925

C[n+]1ccc2c(c1)Oc1ccccc1/C2=C1\c2ccccc2Oc2cnccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
STK17B O94768 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SETD7 Q8WTS6 1/20 0.33
MAPK1 P28482 1/20 0.31
PABPC1 P11940 1/20 0.30
APOBEC3A P31941 1/20 0.30
EIF4H Q15056 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL19024329 1.00 MAOA (0.36) MAOAMAOBSTK17BCYP1A2CYP2D6
SCHEMBL19051918 0.87 SETD7 (0.41) CYP1A2CYP2D6SETD7MAPK1
SCHEMBL19051924 0.87 SETD7 (0.41) CYP1A2CYP2D6SETD7MAPK1
SCHEMBL19051920 0.87 SETD7 (0.41) CYP1A2CYP2D6SETD7MAPK1
SCHEMBL17115226 0.83 CYP1A2 (0.44) MAOAMAOBSTK17BCYP1A2CYP2D6
SCHEMBL19051933 0.83 CYP1A2 (0.44) MAOAMAOBSTK17BCYP1A2CYP2D6
SCHEMBL17115222 0.83 CYP1A2 (0.44) MAOAMAOBSTK17BCYP1A2CYP2D6
SCHEMBL19051943 0.78 HTT (0.44) CYP1A2CYP2D6MAPK1
SCHEMBL17115236 0.76 LMNA (0.40) MAOAMAOBSETD7MAPK1HRH4
SCHEMBL19051932 0.71 HTT (0.48) CYP1A2CYP2D6MAPK1

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-20170183356-A1 New Imaging Agents and Methods of Identifying Same THR TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-06-29 US disclosed
US-20170183356-A1 New Imaging Agents and Methods of Identifying Same THR TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-06-29 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-20170183356-A1 New Imaging Agents and Methods of Identifying Same DDX3X, DDX21, DAXX MAOA 1520/4885MAOB 1522/4885STK17B 3978/4885

“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.