SCHEMBL3205939

SCHEMBL3205939

CCc1ccc2c(c1)C(O)c1ccccc1C21c2ccccc2N(c2ccccc2)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRB3 P13945 1/20 0.33
ADRA2B P18089 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL20284478 0.84 ALDH1A1 (0.35) SLC6A2SLC6A3HTR1AADRA2AADRB3
SCHEMBL3197044 0.84 PDK2 (0.33) PDK2SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL3209570 0.81 NPC1 (0.32) KDM4ENPC1RAB9AEGLN1
SCHEMBL10037546 0.76 ALDH1A1 (0.33) PDK2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL19007618 0.76 PDK2 (0.47) PDK2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2754780 0.75 ALDH1A1 (0.48) PDK2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3210019 0.72 CNR1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10037388 0.72 KDM4E (0.34) CYP1A2CYP2D6CYP2C9CYP2C19MAPK1
SCHEMBL20202064 0.71 ALDH1A1 (0.44) ADRA2AADRA2BALDH1A1CYP1A2CYP3A4
SCHEMBL18627670 0.68 CYP1A2 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120001537-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-01-05 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-20120001537-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME OR10J3, ORC3, PIEZO1 PDK2 1245/4885SLC6A2 3351/4885SLC6A3 3161/4885

“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.