SCHEMBL861791

SCHEMBL861791

CC(C)Cc1ccc(N)cc1CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
PRKCI P41743 1/20 0.38
ACHE P22303 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
CASP1 P29466 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34

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
SCHEMBL10269455 0.90 MAPT (0.39) MAPTKDM4EGAAALDH1A1TSHR
SCHEMBL22295870 0.88 GABRA1 (0.39) MAPTKDM4EGAAALDH1A1TSHR
SCHEMBL31457323 0.85 TSHR (0.45) MAPTKDM4EGAAALDH1A1TSHR
SCHEMBL2339661 0.84 MAPT (0.41) MAPTKDM4EGAAALDH1A1TSHR
SCHEMBL8061776 0.84 CASP1 (0.43) MAPTKDM4EGAAALDH1A1TSHR
SCHEMBL30227313 0.84 MAPT (0.41) MAPTKDM4EGAAALDH1A1TSHR
SCHEMBL30644807 0.83 ALDH1A1 (0.48) MAPTKDM4EGAAALDH1A1TSHR
SCHEMBL21418315 0.83 ALDH1A1 (0.48) MAPTKDM4EGAAALDH1A1TSHR
SCHEMBL20223445 0.81 ADRA2B (0.44) MAPTKDM4EGAAALDH1A1TSHR
SCHEMBL18970460 0.81 MAPT (0.40) MAPTKDM4EGAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023142486-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 WO disclosed
CN-104394835-A Cosmetic composition OREAL 2015-03-04 CN disclosed
CN-102471605-A Composite pigment and preparation method thereof OREAL 2012-05-23 CN disclosed
US-8142909-B2 Blue phosphorescent imidazophenanthridine materials UNIVERSAL DISPLAY CORPORATION (US) 2012-03-27 US disclosed
US-8142909-B2 Blue phosphorescent imidazophenanthridine materials UNIVERSAL DISPLAY CORPORATION (US) 2012-03-27 US disclosed
WO-2008156879-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2008-12-24 WO disclosed
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION 2008-12-04 US disclosed
US-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS UNIVERSAL DISPLAY CORPORATION 2008-12-04 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-20080297033-A1 BLUE PHOSPHORESCENT IMIDAZOPHENANTHRIDINE MATERIALS IK, CRY1, MAP1LC3C MAPT 996/4885KDM4E 3612/4885GAA 3715/4885

“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.