SCHEMBL20414969

SCHEMBL20414969

CC(C)(C)c1cc(-c2nc(C(F)(F)F)n[nH]2)nc(-c2ccc(F)cc2F)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 3/20 0.37
▸ ABCC8 Q09428 1/20 0.36
▸ KCNJ11 Q14654 1/20 0.36
▸ ALOX5AP P20292 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ MPL P40238 1/20 0.32
▸ KMO O15229 1/20 0.32
▸ TNKS O95271 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ F2RL3 Q96RI0 1/20 0.31
▸ TRPA1 O75762 1/20 0.30

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
SCHEMBL20411757 0.85 ALPL (0.38) ALPLABCC8KCNJ11ALOX5APCYP1A2
SCHEMBL20414974 0.82 ABCC8 (0.35) ALPLABCC8KCNJ11
SCHEMBL19612560 0.80 ALPL (0.40) ALPLABCC8KCNJ11ALOX5APCYP1A2
SCHEMBL12626950 0.78 ALPL (0.35) ALPLABCC8KCNJ11KMO
SCHEMBL17077595 0.76 NPC1 (0.45) ALPLTGFBR1KMO
SCHEMBL27931261 0.76 NPC1 (0.45) ALPLTGFBR1KMO
SCHEMBL17077592 0.75 NPC1 (0.44) ALPLALOX5APTGFBR1
SCHEMBL28864794 0.75 NPC1 (0.44) ALPLTGFBR1KMO
SCHEMBL27910618 0.75 NPC1 (0.44) ALPLTGFBR1KMO
SCHEMBL20414973 0.75 POLB (0.41) TNKSPARP1TNKS2

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-10396298-B2 Iridium complex and organic light-emitting diode using the same NATIONAL TSING HUA UNIVERSITY (TW) 2019-08-27 — — US disclosed
US-20180212161-A1 IRIDIUM COMPLEX AND ORGANIC LIGHT-EMITTING DIODE USING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2018-07-26 — — 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-20180212161-A1 IRIDIUM COMPLEX AND ORGANIC LIGHT-EMITTING DIODE USING THE SAME OCIAD1, OGFOD1, OGDH ALPL 2444/4885ABCC8 3319/4885KCNJ11 3533/4885
US-10396298-B2 Iridium complex and organic light-emitting diode using the same OCIAD1, OGFOD1, OGDH ALPL 2444/4885ABCC8 3319/4885KCNJ11 3533/4885

“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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