SCHEMBL4968425

SCHEMBL4968425

CC(C)C(Br)CNc1cc(C(F)(F)F)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CHRNA7 P36544 1/20 0.39
NLRP3 Q96P20 1/20 0.38
AKT1 P31749 1/20 0.38
PDE2A O00408 2/20 0.38
TMPRSS4 Q9NRS4 2/20 0.36
IL1B P01584 2/20 0.36
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
TAS2R14 Q9NYV8 2/20 0.34
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 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
SCHEMBL4968569 0.87 ALDH1A1 (0.43) MEN1KMT2APKMCYP1A2CYP2C19
SCHEMBL4971180 0.79 GAA (0.42) MEN1KMT2AIDO1MAPTGAA
SCHEMBL4969184 0.79 IL1B (0.33) IL1B
SCHEMBL4968146 0.78 POLB (0.43) MEN1KMT2AIDO1ALDH1A1MAPT
SCHEMBL4970188 0.77 IDO1 (0.44) MEN1KMT2APKMIDO1ALDH1A1
SCHEMBL4968419 0.73 KMT2A (0.66) MEN1KMT2ACHRNA7AKT1TMPRSS4
SCHEMBL4971647 0.72 SMN1; SMN2 (0.52) MEN1KMT2AAKT1ALDH1A1MAPT
SCHEMBL22620353 0.72 MEN1 (0.59) MEN1KMT2ACHRNA7AKT1TMPRSS4
SCHEMBL13894365 0.71 MEN1 (0.62) MEN1KMT2ACHRNA7AKT1TMPRSS4
SCHEMBL4972478 0.70 TRPA1 (0.41) MEN1KMT2AIDO1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 MEN1 4288/4885KMT2A 1121/4885CHRNA7 4315/4885

“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.