SCHEMBL3827787

SCHEMBL3827787

N#CCc1cc(C(F)(F)F)ccc1I

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
KIF11 P52732 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
POLQ O75417 1/20 0.34
HTR2A P28223 2/20 0.33
SLC6A4 P31645 2/20 0.33
KCNH2 Q12809 2/20 0.33
CTSS P25774 1/20 0.33
PDE10A Q9Y233 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
GPR3 P46089 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
PTPN5 P54829 1/20 0.32
NOTUM Q6P988 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.31

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
SCHEMBL31454497 0.87 RXRA (0.38) IDO1KIF11RXRARXRBRXRG
SCHEMBL24147012 0.80 CES2 (0.42) IDO1KIF11RXRARXRBRXRG
SCHEMBL952712 0.80 IDO1 (0.53) IDO1KIF11RXRARXRBRXRG
SCHEMBL29492592 0.80 IDO1 (0.53) IDO1KIF11RXRARXRBRXRG
SCHEMBL18602316 0.79 IDO1 (0.40) IDO1KIF11RXRARXRBRXRG
SCHEMBL29552245 0.79 PIEZO1 (0.41) IDO1KIF11RXRARXRBRXRG
SCHEMBL29179953 0.79 SLC6A4 (0.43) IDO1HTR2ASLC6A4KCNH2CTSS
SCHEMBL24146760 0.79 AR (0.44) IDO1KIF11SLC6A4CTSSCYP2D6
SCHEMBL7886912 0.79 PIEZO1 (0.41) IDO1KIF11RXRARXRBRXRG
SCHEMBL30858772 0.79 SLC6A4 (0.43) IDO1HTR2ASLC6A4KCNH2CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107814753-B Organic compound, and organic light emitting diode and organic light emitting display device including the same 乐金显示有限公司 2020-09-22 CN disclosed
US-10418561-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2019-09-17 US disclosed
US-10418561-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2019-09-17 US disclosed
EP-3291327-B1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO LTD (KR) 2019-04-17 EP disclosed
EP-3291327-B1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO LTD (KR) 2019-04-17 EP disclosed
CN-107814753-A Organic compound and Organic Light Emitting Diode and organic light-emitting display device including the organic compound 乐金显示有限公司 2018-03-20 CN disclosed
EP-3291327-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG Display Co., Ltd. (KR) 2018-03-07 EP disclosed
US-20180062083-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
US-20180062083-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
US-20180062083-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-1567477-B1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
EP-2090566-A2 Certain phenylacetic acids and derivatives Novartis AG (CH) 2009-08-19 EP disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
CN-1729157-A Substituted amino phenylacetic acids, derivatives thereof, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors NOVARTIS AG (CH) 2006-02-01 CN disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 EP disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 WO 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 (3 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-20180062083-A1 ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME DRD4, DRD1, OR10J3 IDO1 1466/4885KIF11 2009/4885RXRA 1996/4885
US-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 IDO1 442/4885KIF11 3995/4885RXRA 702/4885
US-10418561-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same DRD4, DRD1, OR10J3 IDO1 1466/4885KIF11 2009/4885RXRA 1996/4885

“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.