SCHEMBL7597167

SCHEMBL7597167

FC(F)(F)c1cccc(C(F)(F)F)c1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AXL P30530 1/20 0.39
KIF11 P52732 1/20 0.39
P2RX7 Q99572 1/20 0.38
CES1 P23141 1/20 0.38
IDO1 P14902 2/20 0.37
CA2 P00918 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
PNMT P11086 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
PDK2 Q15119 1/20 0.35
TSHR P16473 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
SCHEMBL8499174 0.87 KDM4E (0.37) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL12327631 0.85 HSD11B1 (0.38) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL25434956 0.83 SMN1; SMN2 (0.42) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL1933571 0.83 P2RX7 (0.40) L3MBTL1AXLP2RX7KDM4ESMN1; SMN2
SCHEMBL12326881 0.83 GABRA1 (0.39) ALDH1A1TDP1P2RX7CA2KDM4E
SCHEMBL28404162 0.83 ALDH1A1 (0.33) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL21248009 0.83 POLB (0.38) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL6116678 0.81 AXL (0.32) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL12635419 0.78 AR (0.43) ALDH1A1CA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL171150 0.78 AR (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023147244-A1 POLYURETHANE ADHESIVE DOW GLOBAL TECHNOLOGIES LLC (US) 2023-08-03 WO disclosed
WO-2022086946-A1 POLYURETHANE COMPOSITION DOW GLOBAL TECHNOLOGIES LLC (US) 2022-04-28 WO disclosed
EP-3681932-B1 LEWIS ACID POLYMERIZATION CATALYST DOW GLOBAL TECHNOLOGIES LLC (US) 2021-06-09 EP disclosed
US-10811622-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-10-20 US disclosed
WO-2019055740-A1 LEWIS ACID POLYMERIZATION CATALYST DOW GLOBAL TECHNOLOGIES LLC (US) 2019-03-21 WO disclosed
EP-3432381-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2019-01-23 EP disclosed
EP-2985639-A1 NEAR-INFRARED-RAY-ABSORBING COMPOSITION, NEAR-INFRARED-RAY CUT FILTER USING SAME, MANUFACTURING METHOD THEREFOR, CAMERA MODULE, AND MANUFACTURING METHOD THEREFOR Fujifilm Corporation (JP) 2016-02-17 EP disclosed
CN-102219827-B Method for preparing dutasteride HUNAN ERWEN BIOLOG TECHNOLOGY CO LTD 2012-07-25 CN disclosed
CN-102219827-A Method for preparing dutasteride HUNAN ERWEN BIOLOG TECHNOLOGY CO LTD 2011-10-19 CN disclosed
US-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde CENTRAL GLASS COMPANY, LIMITED (JP) 2002-04-11 US disclosed
US-6326517-B1 REACTIN AN AROMATIC COMPOUND WITH CARBON MONOXIDE AND AMMONIA CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-04 US disclosed
US-6268527-B1 REACTING TRIFLUOROMETHYL SUBSTITUTED AROMATIC COMPOUND WITH CARBON MONOXIDE AND HYDROXY COMPOUND IN PRESENCE OF METAL COMPOUND AND PHOSPHINE DERIVATIVE TO PRODUCE TRIFLUOROMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVE CENTRAL GLASS COMPANY, LIMITED (JP) 2001-07-31 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-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde BRPF1, PFAS, FLI1 ALDH1A1 798/4885POLB 177/4885TDP1 3704/4885
US-10811622-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 ALDH1A1 147/4885POLB 2060/4885TDP1 3297/4885

“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.