SCHEMBL5845248

SCHEMBL5845248

Cc1cc(-c2ccc(N)c(O)c2)ccc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.63
ALOX15 P16050 2/20 0.63
HSD17B10 Q99714 2/20 0.63
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
PTGS2 P35354 3/20 0.44
PTGS1 P23219 2/20 0.44
HSD17B1 P14061 4/20 0.43
HSD17B2 P37059 4/20 0.43
DAPK3 O43293 2/20 0.40
NTRK1 P04629 2/20 0.40
PIM1 P11309 2/20 0.40
FLT3 P36888 2/20 0.40
GSK3B P49841 2/20 0.40
ROCK1 Q13464 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
ESR2 Q92731 1/20 0.40
KDM1A O60341 1/20 0.39
MEN1 O00255 3/20 0.38

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
SCHEMBL5844756 0.91 CYP3A4 (0.52) CYP3A4ALOX15HSD17B10TDP1ALDH1A1
SCHEMBL5844850 0.85 CYP3A4 (0.63) CYP3A4ALOX15HSD17B10TDP1ALDH1A1
SCHEMBL8243139 0.84 ALDH1A1 (0.74) CYP3A4ALOX15HSD17B10TDP1ALDH1A1
SCHEMBL5843370 0.82 HSD17B10 (0.71) CYP3A4ALOX15HSD17B10TDP1ALDH1A1
SCHEMBL5845428 0.82 ALOX15 (0.71) CYP3A4ALOX15HSD17B10TDP1ALDH1A1
SCHEMBL12668310 0.80 HSD17B1 (0.60) CYP3A4TDP1PTGS2PTGS1HSD17B1
SCHEMBL14803748 0.80 ALOX15 (0.74) CYP3A4ALOX15HSD17B10TDP1ALDH1A1
SCHEMBL29861102 0.80 HSD17B10 (0.74) CYP3A4ALOX15HSD17B10TDP1ALDH1A1
SCHEMBL23924225 0.79 CYP3A4 (1.00) CYP3A4ALOX15HSD17B10TDP1ALDH1A1
SCHEMBL29365557 0.79 CYP3A4 (1.00) CYP3A4ALOX15HSD17B10TDP1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122061-B2 Agents for dyeing keratin fibers, containing 4-aminobiphenyl-3-ol-derivatives WELLA AG (DE) 2006-10-17 US claimed
US-20050155160-A1 Agents for dyeing keratin fibers, containing 4-amino-biphenyl-3-ol-derivatives WELLA AKTIENGESELLSCHAFT (DE) 2005-07-21 US claimed
EP-1562539-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING 4-AMINO-BIPHENYL-3-OL-DERIVATIVES Wella Aktiengesellschaft (DE) 2005-08-17 EP disclosed
WO-2004041226-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING 4-AMINO-BIPHENYL-3-OL-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2004-05-21 WO 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-20050155160-A1 Agents for dyeing keratin fibers, containing 4-amino-biphenyl-3-ol-derivatives KRT18, CBR3, CCNB3 CYP3A4 835/4885ALOX15 3006/4885HSD17B10 913/4885

“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.