SCHEMBL7519320

SCHEMBL7519320

[O]c1ccc(-c2ccc(F)c(F)c2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
PDE3B Q13370 4/20 0.38
PDE3A Q14432 4/20 0.38
IDO1 P14902 1/20 0.36
NOTUM Q6P988 1/20 0.35
MAOB P27338 1/20 0.35
PTPRC P08575 1/20 0.34
PTPN1 P18031 1/20 0.34
GLO1 Q04760 1/20 0.34
PTGS2 P35354 3/20 0.33
PGR P06401 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KMO O15229 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL18134234 0.76 AKR1C3 (0.46) HDAC1HDAC2AKR1C3AKR1C2PDE3B
SCHEMBL19444063 0.76 DYRK1A (0.41) HDAC1HDAC2AKR1C3AKR1C2
SCHEMBL17356562 0.76 AKR1C3 (0.40) HDAC1HDAC2AKR1C3AKR1C2PDE3B
SCHEMBL18134235 0.72 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL8530689 0.72 ESR1 (0.35) HDAC1HDAC2AKR1C3AKR1C2PDE3B
SCHEMBL19452779 0.71 PGR (0.44) HDAC1HDAC2PDE3BPDE3ANOTUM
SCHEMBL78856 0.70 CES2 (0.46) CES2CES1
SCHEMBL13741967 0.69 CYP17A1 (0.52) IDO1NOTUMPTGS2PGRCYP17A1
SCHEMBL17356563 0.69 CTSL (0.42) HDAC1HDAC2AKR1C3AKR1C2PDE3B
SCHEMBL18134264 0.69 FGFR2 (0.45) PTPRCPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed

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-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP HDAC1 1399/4885HDAC2 2435/4885AKR1C3 751/4885

“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.