SCHEMBL764748

SCHEMBL764748

CNC(C)c1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
MAPKAPK2 P49137 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
ACP3 P15309 1/20 0.42
SOS1 Q07889 1/20 0.41
AOC3 Q16853 1/20 0.39
MAPK1 P28482 1/20 0.38
GPR139 Q6DWJ6 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC1 Q13547 1/20 0.37
EPHX1 P07099 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL2669155 1.00 ACHE (0.46) ACHEMAPKAPK2ALDH1A1HPGDACP3
SCHEMBL20828069 1.00 ACHE (0.46) ACHEMAPKAPK2ALDH1A1HPGDACP3
SCHEMBL17481893 0.83 ACHE (0.46) ACHEMAPKAPK2ALDH1A1HPGDACP3
SCHEMBL28277722 0.83 ACHE (0.46) ACHEMAPKAPK2ALDH1A1HPGDACP3
SCHEMBL6114620 0.81 ACHE (0.44) ACHEMAPKAPK2ALDH1A1HPGDACP3
SCHEMBL21600873 0.81 ACHE (0.44) ACHEMAPKAPK2ALDH1A1HPGDACP3
SCHEMBL25628030 0.81 ACHE (0.44) ACHEMAPKAPK2ALDH1A1HPGDACP3
SCHEMBL11631917 0.81 ACHE (0.44) ACHEMAPKAPK2ALDH1A1HPGDACP3
SCHEMBL19176016 0.80 HDAC4 (0.44) ALDH1A1HPGDCYP3A4CYP2D6MAPT
SCHEMBL16191558 0.80 ACHE (0.48) ACHEALDH1A1ACP3AOC3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022087475-A1 REVERSE TRANSCRIPTION OF POLYNUCLEOTIDES COMPRISING UNNATURAL NUCLEOTIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2022-04-28 WO disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-8470889-B2 Hybrid-ionone and curcumin molecules as anticancer agents TRT PHARMA INC. (CA) 2013-06-25 US disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
US-20110230488-A1 HYBRID-IONONE AND CURCUMIN MOLECULES AS ANTICANCER AGENTS TRT PHARMA INC. (CA) 2011-09-22 US disclosed
WO-2010131669-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2010-11-18 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 (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-20110230488-A1 HYBRID-IONONE AND CURCUMIN MOLECULES AS ANTICANCER AGENTS IKBKG, HSD17B11, IKBKE ACHE 3213/4885MAPKAPK2 687/4885ALDH1A1 1039/4885
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 ACHE 3347/4885MAPKAPK2 3574/4885ALDH1A1 96/4885

“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.