SCHEMBL1415827

SCHEMBL1415827

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.45
▸ AKR1C2 P52895 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ POLB P06746 2/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ DHODH Q02127 1/20 0.44
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ EGFR P00533 2/20 0.41
▸ ERBB3 P21860 2/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL3899773 0.84 GAA (0.50) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL1415624 0.82 CASP3 (0.45) AKR1C3AKR1C2ALDH1A1POLBKMT2A
SCHEMBL1415514 0.81 AKR1C3 (0.46) AKR1C3AKR1C2ALDH1A1POLBKMT2A
SCHEMBL1415497 0.81 DHODH (0.44) ALDH1A1POLBKMT2AMEN1RAB9A
SCHEMBL1415410 0.81 AKR1C3 (0.45) AKR1C3AKR1C2ALDH1A1KMT2AMEN1
SCHEMBL1415617 0.81 SLC6A3 (0.49) AKR1C3AKR1C2ALDH1A1POLBKMT2A
SCHEMBL28049711 0.80 MEN1 (0.54) AKR1C3AKR1C2ALDH1A1KMT2AMEN1
SCHEMBL1416251 0.77 SMN1; SMN2 (0.54) AKR1C3AKR1C2ALDH1A1POLBKMT2A
SCHEMBL7621011 0.73 MAPT (0.49) AKR1C3AKR1C2ALDH1A1POLBKMT2A
SCHEMBL11177087 0.72 TSHR (0.74) AKR1C3AKR1C2ALDH1A1POLBKMT2A

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
CN-105189659-A Quinacridone pigment of low amine content and method for producing same DAINIPPON INK & CHEMICALS 2015-12-23 — — CN disclosed
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 AKR1C3 1652/4885AKR1C2 2174/4885ALDH1A1 1429/4885

“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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