SCHEMBL4788899

SCHEMBL4788899

CC(C)c1cnc(-c2ccc(F)cc2)c(C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ADORA2A P29274 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
GCGR P47871 12/20 0.39
KDM5B Q9UGL1 1/20 0.38
MAPK14 Q16539 4/20 0.36
MAPK10 P53779 2/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1D P48730 1/20 0.36

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
SCHEMBL1999286 0.86 ADORA1 (0.49) ADORA1PTGS1PTGS2ADORA2AHTR2A
SCHEMBL15679983 0.81 CNR1 (0.46) ADORA1PTGS1PTGS2ADORA2AHTR2A
SCHEMBL30009700 0.75 MAPK14 (0.43) PTGS1PTGS2HTR2AHTR2CHTR2B
SCHEMBL12277718 0.75 MAPK14 (0.43) PTGS1PTGS2HTR2AHTR2CHTR2B
SCHEMBL8008310 0.71 MAPK14 (0.57) ADORA2AMAPK14MAPK10
SCHEMBL27903531 0.70 MAPK1 (0.42) PTGS1PTGS2MAPK14
SCHEMBL12796013 0.69 NOS3 (0.31)
SCHEMBL22184930 0.69 GPR55 (0.40) PTGS1PTGS2
SCHEMBL28320987 0.69 GCGR (0.51) GCGR
SCHEMBL24046599 0.68 CKS1B (0.53) ADORA1ADORA2AKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008149828-A1 ORGANOMETALLIC COMPLEX, AND LIGHT-EMITTING MATERIA LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-12-11 WO disclosed
WO-2008149828-A1 ORGANOMETALLIC COMPLEX, AND LIGHT-EMITTING MATERIA LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-12-11 WO disclosed
US-20080305361-A1 Organometallic Complex, and Light-Emitting Material, Light-Emitting Element, Light-Emitting Device and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2008-12-11 US disclosed
US-20080305361-A1 Organometallic Complex, and Light-Emitting Material, Light-Emitting Element, Light-Emitting Device and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2008-12-11 US disclosed
US-20080305361-A1 Organometallic Complex, and Light-Emitting Material, Light-Emitting Element, Light-Emitting Device and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2008-12-11 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-20080305361-A1 Organometallic Complex, and Light-Emitting Material, Light-Emitting Element, Light-Emitting Device and Electronic Device CRY1, CCNE2, IK ADORA1 2881/4885PTGS1 2306/4885PTGS2 3417/4885

“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.