SCHEMBL3789801

SCHEMBL3789801

Nc1ccccc1-c1cccc(C(F)(F)F)c1N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HSD11B1 P28845 5/20 0.42
HSD17B10 Q99714 1/20 0.40
NOTUM Q6P988 1/20 0.40
MPL P40238 3/20 0.39
PDK2 Q15119 2/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
BACE1 P56817 1/20 0.37
CES1 P23141 1/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL16414055 0.89 MPL (0.44) ALDH1A1L3MBTL1HSD11B1NOTUMMPL
SCHEMBL397945 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1HSD11B1HSD17B10NOTUM
SCHEMBL4392002 0.84 PDK2 (0.42) ALDH1A1L3MBTL1HSD11B1HSD17B10NOTUM
SCHEMBL29589903 0.81 CD44 (0.42) ALDH1A1L3MBTL1HSD17B10MPLPDK2
SCHEMBL476347 0.81 CD44 (0.42) ALDH1A1L3MBTL1HSD17B10MPLPDK2
SCHEMBL3791451 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1HSD11B1HSD17B10MPL
SCHEMBL3790614 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1HSD11B1HSD17B10MPL
SCHEMBL27083623 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1HSD11B1HSD17B10NOTUM
SCHEMBL28527850 0.78 TSHR (0.39) ALDH1A1L3MBTL1HSD17B10MPLPDK2
SCHEMBL11654081 0.78 ALDH1A1 (0.77) ALDH1A1L3MBTL1HSD17B10TDP1GAA

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
EP-3467041-B1 HIGH-STRENGTH TRANSPARENT POLYAMIDIMIDE AND METHOD FOR PREPARING SAME LG CHEMICAL LTD (KR) 2020-12-09 EP claimed
CN-101440037-A 3,3'-dibromo-4,4',6,6'-tetra(trifluoromethyl)biphenyl-2,2'-diamine and preparation thereof UNIV WUHAN (CN) 2009-05-27 CN claimed
CN-114940661-B Camphora-reducing derived [2, 1] -bridged cyclic enones compound and synthesis method and application thereof 武汉大学 2023-12-22 CN disclosed
CN-110577485-B Norcamphor derived [2, 1] -bridged ring ketene compounds and synthesis method and application thereof 武汉大学 2022-11-04 CN disclosed
CN-114940661-A Norcamphor derived [2,2,1] -bridged ketene compounds and synthesis method and application thereof 武汉大学 2022-08-26 CN disclosed
CN-110577485-A Norcamphor derived [2,2,1] -bridged ketene compounds and synthesis method and application thereof 武汉大学 2019-12-17 CN disclosed
CN-101440037-B 3,3'-dibromo-4,4',6,6'-tetra(trifluoromethyl)biphenyl-2,2'-diamine and preparation thereof UNIV WUHAN 2012-02-29 CN disclosed
CN-101333230-B Phosphoramidite type diphosphine ligand, preparation method and application thereof UNIV WUHAN 2010-12-22 CN disclosed
CN-101200440-B Enantiopure 4,4',6,6'-tetrakis (trifluorome-thyl)-biphenyl -2,2'-diamine as well as intermediate and preparation method thereof UNIV WUHAN 2010-12-01 CN disclosed
CN-101200440-B Enantiopure 4,4',6,6'-tetrakis (trifluorome-thyl)-biphenyl -2,2'-diamine as well as intermediate and preparation method thereof UNIV WUHAN 2010-12-01 CN disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
CN-101333230-A Phosphoramidite type diphosphine ligand, preparation method and application thereof UNIV WUHAN (CN) 2008-12-31 CN disclosed
CN-101200440-A Enantiopure 4,4',6,6'-tetrakis (trifluorome-thyl)-biphenyl -2,2'-diamine as well as intermediate and preparation method thereof UNIV WUHAN (CN) 2008-06-18 CN disclosed
CN-101200440-A Enantiopure 4,4',6,6'-tetrakis (trifluorome-thyl)-biphenyl -2,2'-diamine as well as intermediate and preparation method thereof UNIV WUHAN (CN) 2008-06-18 CN disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-1141092-A1 IMIDE CONTAINING POLYMERS MADE BY BULK POLYMERIZATION Sumitomo Bakelite Company Limited (JP) 2001-10-10 EP disclosed
WO-2000026277-A1 IMIDE CONTAINING POLYMERS MADE BY BULK POLYMERIZATION SUMITOMO BAKELITE COMPANY LIMITED (JP) 2000-05-11 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 (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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885L3MBTL1 3838/4885HSD11B1 1153/4885

“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.