SCHEMBL13865018

SCHEMBL13865018

CC(=O)Oc1cc(Br)c(OC(C)=O)c(C#N)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
AKR1B1 P15121 1/20 0.38
HTT P42858 1/20 0.36
CFD P00746 2/20 0.36
TOP1 P11387 3/20 0.36
MAPK1 P28482 1/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TNFSF11 O14788 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL23621178 0.76 MEN1 (0.48) LDHALDHBAKR1B1HTTTOP1
SCHEMBL29390804 0.75 TOP1 (0.38) LDHALDHBAKR1B1HTTCFD
SCHEMBL30453685 0.75 KDM4E (0.46) CFDMAPK1TNFSF11KDM4EALDH1A1
SCHEMBL336624 0.75 KDM4E (0.46) CFDMAPK1TNFSF11KDM4EALDH1A1
SCHEMBL5163385 0.74 TTR (0.43) LDHALDHBAKR1B1CFDTOP1
SCHEMBL13867894 0.74 KDM4E (0.42) LDHALDHBAKR1B1HTTMAPK1
SCHEMBL14597441 0.72 CFD (0.48) HTTCFDTOP1TNFSF11KDM4E
SCHEMBL29000114 0.72 LDHA (0.41) LDHALDHBAKR1B1HTTTOP1
Acetic Acid SCHEMBL336195 0.72 KDM4E (0.47) CFDMAPK1KDM4EALDH1A1GAA
SCHEMBL15766152 0.71 CFD (0.42) HTTCFDMAPK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534371-B2 Liquid crystalline compound, liquid crystalline composition and retardation film FUJIFILM CORPORATION (JP) 2009-05-19 US disclosed
US-7534371-B2 Liquid crystalline compound, liquid crystalline composition and retardation film FUJIFILM CORPORATION (JP) 2009-05-19 US disclosed
US-20080169448-A1 Liquid crystalline compound, liquid crystalline composition and retardation film FUJIFILM CORPORATION (JP) 2008-07-17 US disclosed
US-20080169448-A1 Liquid crystalline compound, liquid crystalline composition and retardation film FUJIFILM CORPORATION (JP) 2008-07-17 US disclosed
US-7364670-B2 Liquid crystalline compound, liquid crystalline composition and retardation film FUJIFILM CORPORATION (JP) 2008-04-29 US disclosed
US-7364670-B2 Liquid crystalline compound, liquid crystalline composition and retardation film FUJIFILM CORPORATION (JP) 2008-04-29 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-20080169448-A1 Liquid crystalline compound, liquid crystalline composition and retardation film NCAPD2, RCC1, CCND2 LDHA 1741/4885LDHB 1983/4885AKR1B1 4068/4885

“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.