SCHEMBL4547654

SCHEMBL4547654

[3H]CCCC(/C=C/c1ccccc1O)Cc1cc(F)c(OC)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MMP1 P03956 1/20 0.30
ERN1 O75460 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL13629738 0.80 MAPT (0.33) ABL1ABCB1BCRKDM4EMAPT
SCHEMBL4547653 0.78 ACACB (0.32)
SCHEMBL4551086 0.71 ERN1 (0.40) KDM4ENPC1MAPTRAB9AATM
SCHEMBL4547671 0.70 CCR6 (0.39) KDM4ENPC1MAPTRAB9AATM
SCHEMBL2675212 0.70 CCR6 (0.35) KDM4ENPC1MAPTRAB9AATM
SCHEMBL2675208 0.70 CCR6 (0.35) KDM4ENPC1MAPTRAB9AATM
SCHEMBL4603613 0.69 CYP19A1 (0.31)
SCHEMBL2675146 0.69 CYP19A1 (0.31)
SCHEMBL4547675 0.68 CYP19A1 (0.32)
SCHEMBL4547656 0.67 PPARA (0.43)

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 ABL1 593/4885ABCB1 443/4885BCR 2242/4885

“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.