SCHEMBL7120860

SCHEMBL7120860

COc1ccc(C(O)C(F)(F)F)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
ACHE P22303 4/20 0.49
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42

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
SCHEMBL7125059 0.86 TUBB4A (0.55) CYP1A2KMT2ANPSR1TUBB4ATUBB
SCHEMBL7128355 0.86 TSHR (0.58) ACHEKMT2ANPSR1CA2CYP3A4
SCHEMBL15561617 0.86 LMNA (0.45) PPARGPPARDPPARAKMT2ATUBB4A
SCHEMBL13885076 0.86 TSHR (0.39) PPARGPPARDPPARAACHENPSR1
SCHEMBL19137397 0.84 TAS1R3 (0.41) PPARGPPARDPPARAKMT2ACYP3A4
SCHEMBL21381753 0.84 TSHR (0.38) PPARGPPARDPPARANPSR1TUBB4A
SCHEMBL21358371 0.84 TSHR (0.38) PPARGPPARDPPARANPSR1TUBB4A
SCHEMBL20676011 0.83 PPARG (0.59) PPARGPPARDPPARAACHECYP1A2
SCHEMBL15540035 0.83 ADRA2A (0.43) PPARGPPARDPPARAACHECYP1A2
SCHEMBL7121042 0.79 CA12 (0.41) PPARDCYP1A2CYP2C9KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144541-A1 Process for preparing alpha-halogenated retones RHODIA CHIMIE (FR) 2003-07-31 US claimed
EP-1250303-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2002-10-23 EP claimed
WO-2001055067-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2001-08-02 WO 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-20030144541-A1 Process for preparing alpha-halogenated retones ADH1A, ADH1C, RER1 PPARG 885/4885PPARD 1360/4885PPARA 867/4885

“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.