SCHEMBL5371571

SCHEMBL5371571

CCCc1ccc(C(=O)N(CC)CC)c(B(O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
HPGD P15428 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSP90AA1 P07900 4/20 0.39
HSP90AB1 P08238 4/20 0.39
PPARA Q07869 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PLK1 P53350 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
THRB P10828 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL14529998 0.85 HPGD (0.40) HPGDTDP1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL4462445 0.80 CYP3A4 (0.50) HPGDHSP90AA1HSP90AB1PPARAALDH1A1
SCHEMBL12590922 0.78 ALDH1A1 (0.53) HPGDHSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL4098971 0.78 KDM4E (0.43) HPGDTDP1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL3557705 0.78 MEN1 (0.41) HPGDTDP1HSP90AA1HSP90AB1PPARA
SCHEMBL4053377 0.76 TSHR (0.48) HPGDHSP90AA1HSP90AB1ALDH1A1NPC1
SCHEMBL3563407 0.75 ESR1 (0.58) HPGDHSP90AA1HSP90AB1ESR1ESR2
SCHEMBL521053 0.74 KEAP1 (0.55) HPGDTDP1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL29956351 0.74 KEAP1 (0.55) HPGDTDP1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL5366579 0.71 PARP1 (0.41) HPGDTDP1NPC1LMNARAB9A

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 LPL 4318/4885LIPG 4547/4885HPGD 3247/4885

“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.