SCHEMBL4852548

SCHEMBL4852548

Nc1ccc(O)cc1OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
MAOB P27338 1/20 0.36
PDE2A O00408 1/20 0.35
APP P05067 3/20 0.34
EPHX2 P34913 1/20 0.34
CREBBP Q92793 1/20 0.33
ESR2 Q92731 1/20 0.33
NLRP3 Q96P20 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 3/20 0.32
HSD17B10 Q99714 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 1/20 0.32
AURKA O14965 1/20 0.32

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
SCHEMBL3026638 0.81 EPHX2 (0.41) MAOBPDE2AAPPEPHX2ESR2
SCHEMBL6310104 0.79 GAA (0.39) PDE2AAPPEPHX2ALDH1A1CYP3A4
SCHEMBL6927527 0.79 ALDH1A1 (0.54) PDE2ACREBBPALDH1A1CYP3A4HSD17B10
SCHEMBL8778326 0.79 MAOB (0.54) MAOBAPPEPHX2ALDH1A1HSD17B10
SCHEMBL31533760 0.79 GAA (0.39) PDE2AAPPEPHX2ALDH1A1CYP3A4
SCHEMBL29890447 0.78 EPHX2 (0.42) CA14CA12CA2CA9MAOB
SCHEMBL4055218 0.78 EPHX2 (0.42) CA14CA12CA2CA9MAOB
SCHEMBL2544959 0.78 ALDH1A1 (0.46) PDE2AEPHX2ALDH1A1CYP3A4HSD17B10
SCHEMBL17498442 0.76 CA14 (0.44) CA14CA12CA1CA2CA7
SCHEMBL1978168 0.76 MAOB (0.36) MAOBPDE2AAPPEPHX2ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358397-B2 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2008-04-15 US claimed
US-20050143425-A1 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2005-06-30 US claimed
CN-1616412-A Process for the preparation of halogen containing 4-amino phenols BAYER CHEMICALS AG (DE) 2005-05-18 CN claimed
EP-1514865-A1 Process for the preparation of halogen containing 4-amino phenols Bayer Chemicals AG (DE) 2005-03-16 EP claimed
US-20080139795-A1 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2008-06-12 US disclosed
US-7358397-B2 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2008-04-15 US disclosed
US-20050143425-A1 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2005-06-30 US disclosed
CN-1616412-A Process for the preparation of halogen containing 4-amino phenols BAYER CHEMICALS AG (DE) 2005-05-18 CN disclosed
EP-1514865-A1 Process for the preparation of halogen containing 4-amino phenols Bayer Chemicals AG (DE) 2005-03-16 EP 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 (2 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-20080139795-A1 Preparation of halogenated 4-aminophenols CYP4X1, CYP4B1, PAH CA14 3956/4885CA12 3912/4885CA1 4498/4885
US-20050143425-A1 Preparation of halogenated 4-aminophenols CYP4X1, HPD, CYP4F8 CA14 3932/4885CA12 3747/4885CA1 4576/4885

“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.