SCHEMBL4615347

SCHEMBL4615347

O=C(CC(=O)C(F)(F)F)c1cc(F)c(Cl)cc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.45
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
PLOD3 O60568 2/20 0.40
PLOD1 Q02809 2/20 0.40
HPGD P15428 5/20 0.37
PIK3CA P42336 1/20 0.36
GAA P10253 2/20 0.36
GPR27 Q9NS67 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 2/20 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
SCHEMBL7779152 0.86 PLOD2 (0.41) PLOD2POLBAPEX1PLOD3PLOD1
SCHEMBL1924889 0.75 PLOD2 (0.60) PLOD2PLOD3PLOD1NPC1RAB9A
SCHEMBL13758817 0.75 TSHR (0.47) POLBAPEX1HPGDPIK3CASMN1; SMN2
SCHEMBL13747926 0.75 PIK3CA (0.40) POLBAPEX1HPGDPIK3CAGAA
SCHEMBL12159752 0.75 PIK3CA (0.40) POLBAPEX1HPGDPIK3CAGAA
SCHEMBL1924321 0.75 PLOD2 (0.59) PLOD2POLBPLOD3PLOD1NPC1
SCHEMBL9818725 0.75 PLOD2 (0.42) PLOD2POLBPLOD3PLOD1HPGD
SCHEMBL5117814 0.75 PLOD2 (0.59) PLOD2POLBPLOD3PLOD1HPGD
SCHEMBL1924137 0.73 ERCC5 (0.61) PLOD2POLBPLOD3PLOD1HPGD
SCHEMBL30680417 0.73 ALDH1A1 (0.42) POLBAPEX1HPGDGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214642-A1 Fungicidal N-Benzyl-5-Hydroxy-5-Phenylpryrazolines, Processes For Their Preparation and Compositions Comprising Them BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
EP-1893018-A1 FUNGICIDAL N-BENZYL-5-HYDROXY-5-PHENYLPYRAZOLINES, METHODS FOR THE PRODUCTION THEREOF, AND AGENTS CONTAINING THE SAME BASF SE (DE) 2008-03-05 EP disclosed
WO-2006128823-A1 FUNGICIDAL N-BENZYL-5-HYDROXY-5-PHENYLPYRAZOLINES, METHODS FOR THE PRODUCTION THEREOF, AND AGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2006-12-07 WO disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
EP-0998468-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
WO-1999005130-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 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-20080214642-A1 Fungicidal N-Benzyl-5-Hydroxy-5-Phenylpryrazolines, Processes For Their Preparation and Compositions Comprising Them CBR3, CBR1, CYP4X1 PLOD2 692/4885POLB 4014/4885APEX1 1912/4885

“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.