SCHEMBL38502

SCHEMBL38502

Nc1ccc(/C=C/c2ccc(N)cc2C(=O)O)c(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ TDP1 Q9NUW8 4/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ MAPT P10636 3/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ THRB P10828 2/20 0.59
▸ RECQL P46063 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ MCL1 Q07820 2/20 0.59
▸ CASP1 P29466 2/20 0.59
▸ CASP7 P55210 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ APEX1 P27695 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ TNF P01375 1/20 0.59
▸ HSPD1 P10809 1/20 0.59

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
SCHEMBL38503 1.00 KDM4E (0.59) KDM4EKMT2ATDP1ALDH1A1MAPT
SCHEMBL10338122 0.86 TDP1 (0.57) KDM4EKMT2ATDP1ALDH1A1MAPT
SCHEMBL27222039 0.84 KDM4E (0.55) KDM4EKMT2ATDP1ALDH1A1MAPT
SCHEMBL29364937 0.78 ALDH1A1 (0.68) KDM4EKMT2ATDP1ALDH1A1MAPT
SCHEMBL231377 0.78 ALDH1A1 (0.68) KDM4EKMT2ATDP1ALDH1A1MAPT
SCHEMBL5387299 0.77 CYP19A1 (0.49) KDM4EKMT2ATDP1ALDH1A1MAPT
SCHEMBL5387303 0.77 CYP19A1 (0.49) KDM4EKMT2ATDP1ALDH1A1MAPT
SCHEMBL713768 0.76 KDM4E (0.65) KDM4EKMT2ATDP1ALDH1A1MAPT
SCHEMBL2810654 0.76 ALDH1A1 (0.65) KDM4EKMT2ATDP1ALDH1A1MAPT
SCHEMBL107833 0.76 KMT2A (0.95) KDM4EKMT2ATDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571973-B1 OPTICAL BRIGHTENERS AND COMPOSITIONS COMPRISING THE SAME MILLIKEN & CO (US) 2020-04-01 — — EP disclosed
US-8740997-B2 Optical brighteners and compositions comprising the same MILLIKEN & COMPANY (US) 2014-06-03 — — US disclosed
US-20130281347-A1 OPTICAL BRIGHTENERS AND COMPOSITIONS COMPRISING THE SAME MILLIKEN & COMPANY 2013-10-24 — — US disclosed
US-8454711-B2 Optical brighteners and compositions comprising the same MILLIKEN & COMPANY (US) 2013-06-04 — — US disclosed
EP-2571973-A2 OPTICAL BRIGHTENERS AND COMPOSITIONS COMPRISING THE SAME Milliken & Company (US) 2013-03-27 — — EP disclosed
US-20120329699-A1 OPTICAL BRIGHTENERS AND COMPOSITIONS COMPRISING THE SAME MILLIKEN & COMPANY (US) 2012-12-27 — — US disclosed
US-8262744-B2 Optical brighteners and compositions comprising the same MILLIKEN & COMPANY (US) 2012-09-11 — — US disclosed
WO-2011146604-A2 OPTICAL BRIGHTENERS AND COMPOSITIONS COMPRISING THE SAME MILLIKEN & COMPANY (US) 2011-11-24 — — WO disclosed
US-20110287999-A1 OPTICAL BRIGHTENERS AND COMPOSITIONS COMPRISING THE SAME MILLIKEN & COMPANY 2011-11-24 — — 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 (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-20110287999-A1 OPTICAL BRIGHTENERS AND COMPOSITIONS COMPRISING THE SAME DBN1, AOC1, RARB KDM4E 3819/4885KMT2A 2905/4885TDP1 1104/4885

“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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