SCHEMBL2201483

SCHEMBL2201483

CC(c1ccccc1)C(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.49
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRA2A P08913 4/20 0.41
ADRA2B P18089 4/20 0.41
ADRA2C P18825 4/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL11019542 0.87 SLC6A4 (0.50) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21882393 0.84 SLC6A4 (0.41) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22892406 0.81 SLC6A4 (0.53) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21168602 0.80 SIGMAR1 (0.38) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13938653 0.80 SLC6A4 (0.44) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9734424 0.79 SLC6A4 (0.46) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28931321 0.79 SLC6A4 (0.53) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2992858 0.79 SLC6A4 (0.53) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28702697 0.76 SLC6A4 (0.48) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1973389 0.75 TAAR1 (0.44) ALDH1A1ADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934992-B1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MFG CO (JP) 2004-07-21 EP claimed
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed
US-20080102311-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-05-01 US disclosed
EP-0934992-B1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MFG CO (JP) 2004-07-21 EP disclosed
US-20010033944-A1 LIGHT-EMITTING MATERIAL FOR ORGANO-ELECTROLUMINESCENCE DEVICE AND FOR ORGANIC ELECTROLUMINESCENCE DEVICE WHICH THE MATERIAL IS APPLIED TOYO INK MANUFACTURING CO., LTD. (JP) 2001-10-25 US disclosed
US-6280859-B1 AROMATIC ELECTROLUMINESCENT MATERIAL OR NONSUBSTITUTED HETEROAROMATIC GROUP OR DIVALENT GROUP TOYO INK MANUFACTURING CO., LTD. (JP) 2001-08-28 US disclosed
EP-0934992-A1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MANUFACTURING CO., LTD. (JP) 1999-08-11 EP disclosed
EP-0866110-A1 Light-emitting material for organo-electroluminescence device and organic electroluminescence device TOYO INK MANUFACTURING CO., LTD. (JP) 1998-09-23 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 (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-20010033944-A1 LIGHT-EMITTING MATERIAL FOR ORGANO-ELECTROLUMINESCENCE DEVICE AND FOR ORGANIC ELECTROLUMINESCENCE DEVICE WHICH THE MATERIAL IS APPLIED L1CAM, ELP1, CRY1 SLC6A4 3589/4885ALDH1A1 52/4885CYP1A2 1573/4885
US-20080102311-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME L1CAM, EML4, EBPL SLC6A4 673/4885ALDH1A1 675/4885CYP1A2 3085/4885

“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.