SCHEMBL2554590

SCHEMBL2554590

CC(C)(CO)Cc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A3 Q01959 2/20 0.57
HTR2A P28223 1/20 0.57
HRH1 P35367 1/20 0.57
HTR2B P41595 1/20 0.57
CHRNA4 P43681 1/20 0.57
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
KCNH2 Q12809 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 2/20 0.46
NFKB1 P19838 2/20 0.46
PMP22 Q01453 2/20 0.46
GMNN O75496 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
SCHEMBL11161013 0.89 LMNA (0.54) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL28848601 0.86 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL11507873 0.82 BLM (0.48) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL13815321 0.80 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL1655425 0.80 ALDH1A1 (0.47) LMNAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2958721 0.80 CYP1A2 (0.47) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL2556572 0.78 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL3160963 0.78 ALDH1A1 (0.46) LMNAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL14935121 0.77 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL113690 0.77 SLC6A2 (0.54) SLC6A2LMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4474748-A ANTIBIOTICS, FUNGICIDES, ANTISEPTICS JOHNSON & JOHNSON (US) 1984-10-02 US claimed
EP-2555623-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2013-02-13 EP disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 WO disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 WO disclosed
EP-0337229-A2 Substituted pyri(mi)dines BAYER AG (DE) 1989-10-18 EP disclosed
US-4474748-A ANTIBIOTICS, FUNGICIDES, ANTISEPTICS JOHNSON & JOHNSON (US) 1984-10-02 US disclosed
US-4321257-A Potentiated medicaments JOHNSON & JOHNSON (US) 1982-03-23 US disclosed
US-4197318-A CYCLOHEXYL SUBSTITUTED ALKANOLS AS POTENTIATORS JOHNSON & JOHNSON (US) 1980-04-08 US disclosed
US-4091090-A PENETRANT ACCELERATOR COMPRISING CYCLOHEXYL-SUBSTITUTED ALKANOLS JOHNSON & JOHNSON (US) 1978-05-23 US disclosed
US-4006218-A MICROBIOCIDE JOHNSON & JOHNSON (US) 1977-02-01 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 (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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS SLC6A4 2620/4885SLC6A2 3041/4885SLC6A3 2847/4885

“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.