SCHEMBL2201481

SCHEMBL2201481

c1ccc(CCc2ccc3ccccc3c2Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GPR55 Q9Y2T6 1/20 0.42
CYP2D6 P10635 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 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
SCHEMBL10671225 0.89 HSD17B10 (0.46) CYP1A2CYP2C9CYP2C19HSD17B10CYP2D6
SCHEMBL3837906 0.87 GPR55 (0.49) CYP1A2CYP2C9CYP2C19HSD17B10GPR55
SCHEMBL15345537 0.82 KDM4E (0.49) CYP1A2CYP2C9CYP2C19HSD17B10GPR55
SCHEMBL7860817 0.82 L3MBTL1 (0.46) CYP1A2CYP2C9CYP2C19HSD17B10GPR55
SCHEMBL10726187 0.82 GPR55 (0.45) CYP1A2CYP2C9CYP2C19HSD17B10GPR55
SCHEMBL11766225 0.78 TDP1 (0.57) CYP1A2CYP2C9CYP2C19HSD17B10CYP2D6
SCHEMBL3258985 0.78 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19HSD17B10GPR55
SCHEMBL29714011 0.76 CYP1A1 (0.55)
SCHEMBL9220181 0.76 CYP1A1 (0.55)
SCHEMBL28651371 0.76 MAOA (0.45) HSD17B10

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 CYP1A2 1573/4885CYP2C9 1551/4885CYP2C19 1639/4885
US-20080102311-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME L1CAM, EML4, EBPL CYP1A2 3085/4885CYP2C9 2962/4885CYP2C19 2972/4885

“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.