SCHEMBL13338501

SCHEMBL13338501

Cc1ccc(N(c2ccc(C(F)(F)F)cc2)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ UTS2R Q9UKP6 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ RORC P51449 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35

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
SCHEMBL13338362 0.92 KIF11 (0.46) KIF11ALDH1A1CA1CA2PDE2A
SCHEMBL13338571 0.87 KIF11 (0.38) KIF11CA1CA2PDE2AHRH4
SCHEMBL13338543 0.85 ALDH1A1 (0.48) KIF11ALDH1A1PDE2ATSHRHSD11B1
SCHEMBL13338731 0.83 CETP (0.43) KIF11ACHEPDE2AHRH4HDAC8
SCHEMBL10047612 0.83 ALDH1A1 (0.50) ALDH1A1ACHECA1CA2CA9
SCHEMBL13338494 0.82 TSHR (0.60) ALDH1A1BCHEACHETSHRHSD11B1
SCHEMBL13338676 0.80 KIF11 (0.62) KIF11ALDH1A1TSHR
SCHEMBL13338786 0.80 MEN1 (0.47) CA1CA2CA9CYP1A1CYP1B1
SCHEMBL9999807 0.79 TSHR (0.42) KIF11ALDH1A1BCHEACHECA1
SCHEMBL17816159 0.78 TSHR (0.55) KIF11ALDH1A1BCHEACHECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 — — 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
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 (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-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE ESR1, ECE1, ESYT1 KIF11 2436/4885ALDH1A1 722/4885BCHE 3300/4885
US-20100108997-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OR10J3, OCIAD1, OCIAD2 KIF11 1027/4885ALDH1A1 428/4885BCHE 4467/4885

“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.

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