SCHEMBL12648686

SCHEMBL12648686

Cc1c(-c2ccc(F)cc2)cccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
PTGS2 P35354 2/20 0.40
GCGR P47871 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
PTGS1 P23219 2/20 0.38
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL13006374 0.82 CA12 (0.56) CA1CA2CA12CA9PTGS2
SCHEMBL6318808 0.82 PDCD1 (0.50) CA1CA2CA12CA9GABRA1
SCHEMBL13377202 0.81 CA1 (0.40) CA1CA2CA12CA9PTGS2
SCHEMBL13365627 0.81 KIF11 (0.41) CA1CA2CA12CA9
SCHEMBL8780124 0.80 GABRA1 (0.55) CA1CA2CA12CA9PTGS2
SCHEMBL12648768 0.79 CA1 (0.38) CA1CA2CA12CA9GABRA1
SCHEMBL13366078 0.79 ABL1 (0.47) TSHRABL1PDCD1CD274
SCHEMBL18375348 0.78 LRRK2 (0.39) CA1CA2CA12CA9GCGR
SCHEMBL10304833 0.77 CYP11B2 (0.41) CA1CA2CA12CA9GABRA1
SCHEMBL10304731 0.76 PTGS2 (0.44) PTGS2PTGS1TSHRSLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011051749-A1 NOVEL COMPOUNDS FOR ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2011-05-05 WO disclosed
EP-2182002-A1 Novel compounds for electronic material and organic electronic device using the same Gracel Display Inc. (KR) 2010-05-05 EP disclosed
US-20100102710-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-04-29 US disclosed
US-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-12-03 US disclosed
US-20090261714-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-22 US disclosed
EP-2098532-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-09-09 EP disclosed
US-20090184631-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-23 US disclosed
US-20090184629-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-23 US disclosed
US-20090179555-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-16 US disclosed
US-20090174316-A1 Novel red electroluminescent compounds and organi electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-09 US disclosed
US-20090153037-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-06-18 US disclosed
EP-2066150-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-06-03 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 (8 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-20090261714-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, ODC1, LEF1 CA1 2205/4885CA2 1147/4885CA12 2315/4885
US-20090184631-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same ALDH1A2, ODC1, NDUFS2 CA1 2388/4885CA2 901/4885CA12 2020/4885
US-20090174316-A1 Novel red electroluminescent compounds and organi electroluminescent device using the same ALPI, IK, ALDH1A2 CA1 1588/4885CA2 77/4885CA12 1313/4885
US-20090153037-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same NDUFS2, ALDH1A2, ODC1 CA1 2517/4885CA2 892/4885CA12 1940/4885
US-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, LEF1, ODC1 CA1 2171/4885CA2 1374/4885CA12 2233/4885
US-20090184629-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same IK, TYR, EYA2 CA1 3199/4885CA2 600/4885CA12 1792/4885
US-20100102710-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ODC1, AOX1, OR10J3 CA1 2110/4885CA2 1326/4885CA12 2043/4885
US-20090179555-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same NDUFS2, ALDH1A2, ODC1 CA1 2517/4885CA2 892/4885CA12 1940/4885

“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.