SCHEMBL13835528

SCHEMBL13835528

CN(C)c1cc(F)nc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.41
TERT O14746 1/20 0.41
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
CHRM5 P08912 1/20 0.36
CHKA P35790 1/20 0.36
SNCA P37840 1/20 0.34
TCF4 P15884 1/20 0.33
CTNNB1 P35222 1/20 0.33
EGFR P00533 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
CREBBP Q92793 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL2174937 0.80 L3MBTL1 (0.38) APPTERTTSHRALDH1A1LMNA
SCHEMBL1760716 0.71 TSHR (0.57) APPTERTTSHRALDH1A1HSD17B10
SCHEMBL6225564 0.71 TSHR (0.42) APPTERTTSHRALDH1A1HSD17B10
SCHEMBL29419408 0.70 ALDH1A1 (0.50) APPTERTTSHRALDH1A1HSD17B10
SCHEMBL21849250 0.70 ALDH1A1 (0.50) APPTERTTSHRALDH1A1HSD17B10
SCHEMBL3912567 0.69 TSHR (0.46) APPTERTTSHRALDH1A1HSD17B10
SCHEMBL7692953 0.69 TSHR (0.40) APPTERTTSHRALDH1A1HSD17B10
SCHEMBL4268851 0.69 MEN1 (0.44) APPTERTTSHRALDH1A1HSD17B10
SCHEMBL2735686 0.67
SCHEMBL15935765 0.67 TSHR (0.44) APPTERTTSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391703-A1 SELECTIVE HYDRODEOXYGENATION OF AROMATIC COMPOUNDS UNIVERSITY OF SOUTH CAROLINA 2023-12-07 US disclosed
US-11773040-B2 Selective hydrodeoxygenation of aromatic compounds BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2023-10-03 US disclosed
US-11773040-B2 Selective hydrodeoxygenation of aromatic compounds BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2023-10-03 US disclosed
US-11773040-B2 Selective hydrodeoxygenation of aromatic compounds BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2023-10-03 US disclosed
US-20210198171-A1 SELECTIVE HYDRODEOXYGENATION OF AROMATIC COMPOUNDS UNIVERSITY OF SOUTH CAROLINA 2021-07-01 US disclosed
US-20210198171-A1 SELECTIVE HYDRODEOXYGENATION OF AROMATIC COMPOUNDS UNIVERSITY OF SOUTH CAROLINA 2021-07-01 US disclosed
US-8575345-B2 Molecular cobalt pentapyridine catalysts for generating hydrogen from water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-11-05 US disclosed
US-20120296092-A1 Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 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 (4 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-20120296092-A1 Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water H1-10, H1-5, H1-0 APP 4383/4885TERT 318/4885TSHR 3108/4885
US-20210198171-A1 SELECTIVE HYDRODEOXYGENATION OF AROMATIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, PAH APP 4726/4885TERT 3138/4885TSHR 4010/4885
US-11773040-B2 Selective hydrodeoxygenation of aromatic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, PAH APP 4726/4885TERT 3138/4885TSHR 4010/4885
US-20230391703-A1 SELECTIVE HYDRODEOXYGENATION OF AROMATIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, PAH APP 4726/4885TERT 3138/4885TSHR 4010/4885

“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.