SCHEMBL5452264

SCHEMBL5452264

C=CCOc1ccc(Br)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 1/20 0.50
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTR2C P28335 7/20 0.40
HTR2B P41595 5/20 0.40
HTR2A P28223 4/20 0.40
ADRB2 P07550 2/20 0.40
HTR1A P08908 2/20 0.40
CHRM5 P08912 2/20 0.40
ADRA2A P08913 2/20 0.40
DRD2 P14416 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
DRD4 P21917 2/20 0.40
HRH2 P25021 2/20 0.40

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
SCHEMBL24933586 0.82 KDM4E (0.44) ALDH1A1HPGDMAPK1GAA
SCHEMBL14392489 0.81 HPGD (0.59) ALDH1A1HPGDMEN1HTTKMT2A
SCHEMBL2322279 0.81 HPGD (0.59) ALDH1A1HPGDMEN1HTTKMT2A
SCHEMBL7813169 0.80 HPGD (0.58) ALDH1A1HPGDMEN1HTTKMT2A
SCHEMBL1880355 0.79 HTR2C (0.42) ALDH1A1HPGDMEN1HTTKMT2A
SCHEMBL9699860 0.79 HPGD (0.43) ALDH1A1HPGDMEN1HTTKMT2A
SCHEMBL9710314 0.79 HPGD (0.43) ALDH1A1HPGDMEN1HTTKMT2A
SCHEMBL7143238 0.79 HPGD (0.69) ALDH1A1HPGDMEN1HTTKMT2A
SCHEMBL31676672 0.79 HPGD (0.56) ALDH1A1HPGDMEN1HTTKMT2A
SCHEMBL5645943 0.79 HPGD (0.56) ALDH1A1HPGDMEN1HTTKMT2A

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 3 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
CN-1827572-A Cyclohexyl biphenyls liquid crystal compounds XIAN MODERN CHEMISTRY RES INST (CN) 2006-09-06 CN 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 ALDH1A1 1301/4885HPGD 3247/4885MEN1 687/4885

“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.