SCHEMBL1415497

SCHEMBL1415497

O=C(O)C1=C(Nc2ccc(F)cc2)CC(C(=O)O)=C(Nc2ccc(F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MITF O75030 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ CDC7 O00311 1/20 0.38

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
SCHEMBL1415624 0.82 CASP3 (0.45) DHODHKMT2AMEN1POLBALDH1A1
SCHEMBL1415410 0.81 AKR1C3 (0.45) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL1415514 0.81 AKR1C3 (0.46) KMT2AMEN1POLBALDH1A1NPC1
SCHEMBL1415827 0.81 AKR1C3 (0.45) DHODHKMT2AMEN1POLBALDH1A1
SCHEMBL1415465 0.81 MEN1 (0.49) KMT2AMEN1POLBALDH1A1NPC1
SCHEMBL1416251 0.77 SMN1; SMN2 (0.54) KMT2AMEN1POLBALDH1A1NPC1
SCHEMBL7621011 0.73 MAPT (0.49) KMT2AMEN1POLBALDH1A1NPC1
SCHEMBL5460566 0.72 MITF (0.69) DHODHKMT2AMEN1POLBMITF
SCHEMBL3900458 0.71 CASP3 (0.52) DHODHKMT2AMEN1ALDH1A1GAA
Cyclooctane SCHEMBL8134205 0.70 KMT2A (0.45) KMT2AMEN1POLBALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399742-B1 QUINACRIDONE LABELLING REAGENTS FOR FLUORESCENCE DETECTION OF BIOLOGICAL MATERIALS GE HEALTHCARE UK LTD (GB) 2011-03-16 — — EP disclosed
US-7335771-B2 Quinacridone derivatives as labelling reagents for fluorescence detection of biological materials GE HEALTHCARE UK LIMITED (GB) 2008-02-26 — — US disclosed
US-20040171014-A1 Quinacridone derivatives as labelling reagents for flurescence detection of bilogical materials TTP LABTECH LIMITED (GB) 2004-09-02 — — US disclosed
EP-1399742-A2 QUINACRIDONE LABELLING REAGENTS FOR FLUORESCENCE DETECTION OF BIOLOGICAL MATERIALS Amersham Biosciences UK Limited (GB) 2004-03-24 — — EP disclosed
WO-2002099432-A2 QUINACRIDONE LABELLING REAGENTS FOR FLUORESCENCE DETECTION OF BIOLOGICAL MATERIALS AMERSHAM BIOSCIENCES UK LIMITED (GB) 2002-12-12 — — 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-20040171014-A1 Quinacridone derivatives as labelling reagents for flurescence detection of bilogical materials Q6ZSR9, MPHOSPH6, NQO2 DHODH 3549/4885KMT2A 4300/4885MEN1 4820/4885

“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.

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