SCHEMBL6857733

SCHEMBL6857733

CCCCOC(=O)c1c(C)c(C)nc2c(F)cc(C(C)(C)C)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.40
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
SLC2A1 P11166 1/20 0.36
MAPK14 Q16539 1/20 0.35
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL6851310 0.93 ADORA3 (0.39) MAPTMAPK14L3MBTL1KDM4EALDH1A1
SCHEMBL6858350 0.90 ALDH1A1 (0.40) MAPTTP53TSHRL3MBTL1NPC1
SCHEMBL6858344 0.83 HTR7 (0.34) ATMMAPTALDH1A1SMN1; SMN2
SCHEMBL6855230 0.81 FASN (0.34) ALDH1A1
SCHEMBL6858360 0.80 DHODH (0.34) CYP3A4
SCHEMBL346736 0.78 DHODH (0.36) TP53NPC1RAB9AKDM4EALDH1A1
SCHEMBL6857752 0.77 DHODH (0.31)
SCHEMBL7039428 0.74 HTR1D (0.35)
Phosphine SCHEMBL27595810 0.74 ESR1 (0.53) ESR1TP53TSHRL3MBTL1TDP1
SCHEMBL164293 0.70 HTT (0.34) MAPTTP53L3MBTL1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787557-B2 2,3-dimethyl-6-t-butyl-8-fluoro-4-hydroxyquinoline or ester derivatives; plant fungicides; Pyricularia MEIJI SEIKA KAISHA, LTD. (JP) 2004-09-07 US claimed
US-6787557-B2 2,3-dimethyl-6-t-butyl-8-fluoro-4-hydroxyquinoline or ester derivatives; plant fungicides; Pyricularia MEIJI SEIKA KAISHA, LTD. (JP) 2004-09-07 US disclosed
US-20030176459-A1 Rice blast control agents MEIJI SEIKA PHARMA CO., LTD. (JP) 2003-09-18 US disclosed
EP-1291344-A1 RICE BLAST CONTROL AGENTS MEIJI SEIKA KAISHA LTD. (JP) 2003-03-12 EP 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-20030176459-A1 Rice blast control agents CNOT1, OSR1, RER1 ESR1 4860/4885ATM 1079/4885MAPT 3187/4885

“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.