SCHEMBL4941745

SCHEMBL4941745

Cc1cccc(OC(C)C)c1C(=O)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
HPGD P15428 1/20 0.51
KCNK3 O14649 3/20 0.50
KCNK9 Q9NPC2 3/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
TSHR P16473 1/20 0.49
NOTUM Q6P988 2/20 0.48
POLB P06746 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
TOP2A P11388 1/20 0.46
EGFR P00533 1/20 0.46
SRC P12931 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL936276 0.82 HPGD (0.67) HPGDKCNK3KCNK9KMT2AMEN1
SCHEMBL23364836 0.81 CA1 (0.48) HPGDKMT2ATDP1ALDH1A1LMNA
SCHEMBL20472310 0.81 KCNK3 (0.53) KCNK3KCNK9POLBALDH1A1LMNA
SCHEMBL1441426 0.79 KCNK3 (0.60) HPGDKCNK3KCNK9KMT2AMEN1
SCHEMBL29932864 0.78 IRAK4 (0.46) TAS1R3TAS1R1TAS1R2KCNK3KCNK9
SCHEMBL23364568 0.78 IRAK4 (0.46) TAS1R3TAS1R1TAS1R2KCNK3KCNK9
SCHEMBL19052112 0.76 HPGD (0.59) HPGDKCNK3KCNK9KMT2AMEN1
SCHEMBL10163812 0.75 CYP1A2 (0.56) HPGDKMT2AMEN1POLBTDP1
SCHEMBL11601795 0.75 KCNK3 (0.56) HPGDKCNK3KCNK9KMT2AMEN1
SCHEMBL23364634 0.75 CA1 (0.56) TAS1R3TAS1R1TAS1R2POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712278-A1 N-PYRIDYLTOLUIDINE-CONTAINING FUNGICIDAL WATER DISPERSIBLE GRANULES ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-05-22 EP claimed
WO-1995004460-A1 N-PYRIDYLTOLUIDINE-CONTAINING FUNGICIDAL WATER DISPERSIBLE GRANULES ISHIHARA SANGYO KAISHA LTD. (JP) 1995-02-16 WO claimed
US-20080039319-A1 Fungicidal Mixtures and Novel Triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2008-02-14 US disclosed
EP-1732388-A1 TERNARY FUNGICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2006-12-20 EP disclosed
WO-2005094583-A1 TERNARY FUNGICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2005-10-13 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-20080039319-A1 Fungicidal Mixtures and Novel Triazolopyrimidines ATIC, ARSA, AOC1 TAS1R3 1542/4885TAS1R1 620/4885TAS1R2 986/4885

“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.