SCHEMBL97040

SCHEMBL97040

[O]CCCOCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HRH3 Q9Y5N1 3/20 0.53
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
FFAR1 O14842 1/20 0.46
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL6268783 0.92 MEN1 (0.46) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL15520298 0.92 IDO1 (0.55) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL97037 0.90 TDP1 (0.50) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL196951 0.89 IDO1 (0.67) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL97368 0.88 TDP1 (0.53) IDO1MEN1KMT2AHRH3FFAR1
SCHEMBL96691 0.88 TDP1 (0.53) IDO1MEN1KMT2AHRH3FFAR1
SCHEMBL9668721 0.85 IDO1 (0.57) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL28130088 0.85 IDO1 (0.61) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL198056 0.82 IDO1 (0.58) IDO1MEN1KMT2AHRH3SIGMAR1
SCHEMBL1544 0.82 ALDH1A1 (0.57) IDO1SMN1; SMN2NPC1RAB9AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464167-B2 Poly α-amino acid and ferroelectric memory element using same AJINOMOTO CO., INC. (JP) 2016-10-11 US disclosed
US-20140138654-A1 POLY ALPHA-AMINO ACID AND FERROELECTRIC MEMORY ELEMENT USING SAME AJINOMOTO CO., INC. (JP) 2014-05-22 US disclosed
EP-2709147-A1 POLY -AMINO ACID AND FERROELECTRIC MEMORY ELEMENT USING SAME Ajinomoto Co., Inc. (JP) 2014-03-19 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
US-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 US disclosed
EP-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 EP 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB IDO1 2039/4885MEN1 4401/4885KMT2A 1059/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 IDO1 2948/4885MEN1 3912/4885KMT2A 2732/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 IDO1 2948/4885MEN1 3912/4885KMT2A 2732/4885

“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.