SCHEMBL4547652

SCHEMBL4547652

[3H]CCCC(/C=C/c1ccccc1OCC)Cc1cc(F)c(OC)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TUBB1 Q9H4B7 1/20 0.33
NPC1 O15118 3/20 0.32
KMT2A Q03164 3/20 0.32
ATM Q13315 2/20 0.32
MEN1 O00255 2/20 0.32
CAPN1 P07384 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
AGTR1 P30556 1/20 0.32
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL4547654 0.85 ABL1 (0.36) NFE2L2NPC1ATMKDM4ERAB9A
SCHEMBL13629739 0.83 L3MBTL1 (0.37) NFE2L2L3MBTL1NPC1KMT2AATM
SCHEMBL4547653 0.73 ACACB (0.32)
SCHEMBL13498101 0.69 MAPT (0.38) L3MBTL1NPC1KMT2AATMMEN1
SCHEMBL13629738 0.66 MAPT (0.33) NFE2L2KMT2AMEN1KDM4ELMNA
SCHEMBL3484871 0.65 KDM4E (0.47) KMT2AATMMEN1KDM4ELMNA
SCHEMBL3484872 0.65 KDM4E (0.47) KMT2AATMMEN1KDM4ELMNA
SCHEMBL4547656 0.63 PPARA (0.43)
SCHEMBL8244792 0.62 KDM4E (0.44) KMT2AATMMEN1KDM4ELMNA
SCHEMBL2632229 0.62 MAPT (0.54) L3MBTL1NPC1KMT2AATMMEN1

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-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-20090291993-A1 Difluorophenol Derivatives and Their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 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-20090291993-A1 Difluorophenol Derivatives and Their Use TPMT, FABP3, DPP4 NFE2L2 403/4885L3MBTL1 2403/4885TUBB1 806/4885

“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.