SCHEMBL5451047

SCHEMBL5451047

C=CCc1ccc(Br)cc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
PYCR1 P32322 1/20 0.42
PDPK1 O15530 1/20 0.40
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
KDM1A O60341 2/20 0.38
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
AKR1B1 P15121 1/20 0.37
NAAA Q02083 1/20 0.36
DGAT1 O75907 1/20 0.36
CHRM5 P08912 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM1B Q8NB78 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
SCHEMBL8665741 0.81 LMNA (0.41) LMNAPYCR1KMT2AMAPTGAA
SCHEMBL8205 0.80 PDPK1 (0.43) PYCR1PDPK1KDM1AAKR1B1NAAA
SCHEMBL472482 0.80 GABRA1 (0.50) LMNAKMT2AMAPTGAAALOX12
SCHEMBL11223610 0.79 LMNA (0.40) LMNAPYCR1KMT2AMAPTGAA
SCHEMBL12833031 0.79 IDO1 (0.48) LMNAKMT2AMEN1GABRA1GABRB2
SCHEMBL1311119 0.77 PYCR1 (0.46) LMNAPYCR1PDPK1KDM1AAKR1B1
SCHEMBL2095254 0.77 PYCR1 (0.46) PYCR1PDPK1KDM1AAKR1B1NAAA
SCHEMBL8165898 0.76 PYCR1 (0.44) LMNAPYCR1KMT2AMAPTGAA
SCHEMBL8173928 0.76 LMNA (0.43) LMNAPYCR1KMT2AMAPTGAA
SCHEMBL9640862 0.76 ESR1 (0.49) KMT2AMAPTGAAMEN1GABRA1

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
US-7297379-B2 Polyfluorinated fused aromatics and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2007-11-20 US disclosed
US-20050255258-A1 Polyfluorinated fused aromatics and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2005-11-17 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-20050255258-A1 Polyfluorinated fused aromatics and their use in liquid-crystal mixtures SCO2, CHRM1, CBR1 LMNA 826/4885PYCR1 190/4885PDPK1 2927/4885

“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.