SCHEMBL13338731

SCHEMBL13338731

Cc1cccc(N(c2ccc(C(F)(F)F)cc2)C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.43
▸ CASR P41180 1/20 0.37
▸ LIPE Q05469 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ KIF11 P52732 3/20 0.36
▸ POLQ O75417 1/20 0.36
▸ PDE2A O00408 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL13338536 0.86 TSHR (0.39) CETPMEN1HTTRAB9AKMT2A
SCHEMBL13338571 0.85 KIF11 (0.38) HRH4KIF11PDE2AHDAC8HSD11B1
SCHEMBL13338503 0.83 ACHE (0.41) MEN1HTTRAB9AKMT2AACHE
SCHEMBL13338501 0.83 KIF11 (0.41) HRH4KIF11PDE2AHDAC8HSD11B1
SCHEMBL13338543 0.83 ALDH1A1 (0.48) KIF11PDE2AMEN1HTTRAB9A
SCHEMBL13338362 0.83 KIF11 (0.46) HRH4KIF11PDE2AHDAC8
SCHEMBL13338378 0.83 ACHE (0.48) ACHERECQL
SCHEMBL13338732 0.82 ACHE (0.44) HTTRAB9AKMT2AACHERECQL
SCHEMBL13338404 0.81 MAPT (0.43) HTTRAB9AKMT2AACHERECQL
SCHEMBL13338738 0.79 ACHE (0.34) POLQMEN1HTTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 — — US disclosed
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-05-06 — — 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-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 CETP 2188/4885CASR 3421/4885LIPE 3088/4885

“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.

Send feedback