SCHEMBL1688342

SCHEMBL1688342

O=C(O)c1cc(Br)ccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 1.00
AKR1C3 P42330 3/20 0.70
AKR1C2 P52895 3/20 0.70
GRIK1 P39086 4/20 0.65
TAS2R14 Q9NYV8 1/20 0.60
RXFP1 Q9HBX9 2/20 0.57
TEAD4 Q15561 2/20 0.55
MEN1 O00255 1/20 0.55
GMNN O75496 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
TTR P02766 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
NFKB1 P19838 1/20 0.55
UGT1A1 P22309 1/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55

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
SCHEMBL22719560 0.88 MPO (0.79) MPOAKR1C3AKR1C2GRIK1TAS2R14
SCHEMBL29504999 0.88 MPO (0.79) MPOAKR1C3AKR1C2GRIK1TAS2R14
SCHEMBL1463277 0.86 GRIK1 (0.82) MPOAKR1C3AKR1C2GRIK1RXFP1
SCHEMBL23691075 0.85 MPO (0.76) MPOAKR1C3AKR1C2GRIK1TAS2R14
SCHEMBL29504977 0.85 MPO (0.74) MPOAKR1C3AKR1C2GRIK1TAS2R14
SCHEMBL22719595 0.85 MPO (0.74) MPOAKR1C3AKR1C2GRIK1TAS2R14
Flufenamic Acid SCHEMBL29356958 0.83 RXFP1 (0.75) MPOAKR1C3AKR1C2GRIK1TAS2R14
Flufenamic Acid SCHEMBL17497 0.83 RXFP1 (0.75) MPOAKR1C3AKR1C2GRIK1TAS2R14
Flufenamic Acid SCHEMBL9845499 0.82 RXFP1 (0.73) MPOAKR1C3AKR1C2GRIK1TAS2R14
Flufenamic Acid SCHEMBL11524554 0.82 RXFP1 (0.73) MPOAKR1C3AKR1C2GRIK1TAS2R14

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-20120135864-A1 POLLINATION IMPROVER TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-05-31 US disclosed
US-20120108431-A1 PLANT GROWTH REGULATOR ADDITIVE TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-05-03 US disclosed
US-20120101164-A1 ABSCISSION AND CROP STORAGE UNIT TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-04-26 US disclosed
US-20120088667-A1 SAFENING AGENT TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-04-12 US 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 (4 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-20120101164-A1 ABSCISSION AND CROP STORAGE UNIT BROX, ACR, ABAT MPO 1474/4885AKR1C3 1647/4885AKR1C2 1323/4885
US-20120088667-A1 SAFENING AGENT PIN1, IPO11, XPO1 MPO 2236/4885AKR1C3 783/4885AKR1C2 1055/4885
US-20120135864-A1 POLLINATION IMPROVER AADAT, TIPARP, GSR MPO 2574/4885AKR1C3 62/4885AKR1C2 159/4885
US-20120108431-A1 PLANT GROWTH REGULATOR ADDITIVE MYB, ING2, AGXT MPO 4471/4885AKR1C3 1005/4885AKR1C2 537/4885

“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.