SCHEMBL4468894

SCHEMBL4468894

CCCC(=O)OC(=O)c1cc(Br)c(F)c(Cl)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SOS1 Q07889 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
COMT P21964 1/20 0.31
F2R P25116 3/20 0.30

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
SCHEMBL9824312 0.86 ALDH1A1 (0.40) ALDH1A1LMNAHPGDKMT2ACYP1A2
SCHEMBL6441759 0.80 CYP4F2 (0.46) ALDH1A1LMNAKMT2A
SCHEMBL1003415 0.79 L3MBTL1 (0.41) ALDH1A1LMNAHPGDCOMT
SCHEMBL4466462 0.77 ALDH1A1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL9824894 0.77 ALDH1A1 (0.40) ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL9224306 0.77 CYP1A2 (0.51) ALDH1A1LMNAHPGDCYP1A2CYP2C19
SCHEMBL1186952 0.76 ALDH1A1 (0.45) ALDH1A1LMNAHPGDKMT2ACYP1A2
SCHEMBL10472450 0.76 ALDH1A1 (0.39) ALDH1A1LMNAHPGDKMT2ACYP1A2
SCHEMBL9853278 0.75 ALDH1A1 (0.41) ALDH1A1MEN1LMNAHPGDKMT2A
SCHEMBL8138598 0.74 ALDH1A1 (0.47) ALDH1A1LMNAHPGDCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482454-B2 Antimicrobial quinolones, their compositions, and uses THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US disclosed
US-20060100436-A1 Antimicrobial quinolones, their compositions, and uses WARNER CHILCOTT COMPANY, LLC 2006-05-11 US disclosed
US-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 US disclosed
EP-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP disclosed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 US disclosed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 WO disclosed
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 US disclosed
EP-1015445-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2000-07-05 EP disclosed
WO-1999014214-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 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-20060100436-A1 Antimicrobial quinolones, their compositions, and uses Q6ZSR9, RECQL, QARS1 ALDH1A1 2880/4885MEN1 2135/4885LMNA 3147/4885
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 ALDH1A1 2739/4885MEN1 3068/4885LMNA 1448/4885

“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.