SCHEMBL4101467

SCHEMBL4101467

COc1ccc(CC(=O)O)c([N+](=O)[O-])c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TRPV1 Q8NER1 1/20 0.44
CYP1A2 P05177 1/20 0.43
AMY1A P0DUB6 1/20 0.42
GAA P10253 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL1460489 0.85 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL8950197 0.83 KDM4E (0.47) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL215343 0.83 TDP1 (0.46) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL13905046 0.82 HPGD (0.50) ALDH1A1SMN1; SMN2POLBLMNAPKM
SCHEMBL18138425 0.81 TDP1 (0.45) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL7815989 0.81 NR1H4 (0.46) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL11748681 0.80 KDM4E (0.44) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL5964869 0.80 KDM4E (0.44) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL5964706 0.80 TDP1 (0.44) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL1882600 0.80 TDP1 (0.47) ALDH1A1SMN1; SMN2POLBHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090130229-A1 Antitumor uses of compound CELL THERAPEUTICS, INC. (US) 2009-05-21 US disclosed
US-20060258731-A1 Antitumor compound and therapeutic uses thereof CELL THERAPEUTICS, INC. 2006-11-16 US disclosed
EP-1534271-B1 ANTITUMOR COMPOUND AND THERAPEUTIC USES THEREOF CELL THERAPEUTICS EUROPE SRL (IT) 2006-08-23 EP disclosed
US-20050209195-A1 Indolinone derivatives CELL THERAPEUTICS EUROPE S.R.I (IT) 2005-09-22 US disclosed
CN-1668298-A Antitumor compound and therapeutic uses thereof NOVUSPHARMA SPA (IT) 2005-09-14 CN disclosed
WO-2005068424-A1 INDOLINONE DERIVATIVES AS RECEPTOR TYROSINE KINASE IHIBITORS CELL THERAPEUTICS EUROPE S.R.L. (IT) 2005-07-28 WO disclosed
EP-1534271-A1 ANTITUMOR COMPOUND AND THERAPEUTIC USES THEREOF Cell Therapeutics Europe S.R.L. (IT) 2005-06-01 EP disclosed
WO-2004009083-A1 ANTITUMOR COMPOUND AND THERAPEUTIC USES THEREOF CELL THERAPEUTICS EUROPE S.R.L. (IT) 2004-01-29 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 (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-20060258731-A1 Antitumor compound and therapeutic uses thereof FGFR3, KIT, RET ALDH1A1 562/4885SMN1; SMN2 3775/4885POLB 4338/4885
US-20090130229-A1 Antitumor uses of compound MET, FGFR2, FGFR3 ALDH1A1 1326/4885SMN1; SMN2 1721/4885POLB 3674/4885
US-20050209195-A1 Indolinone derivatives RET, MET, FGFR1 ALDH1A1 510/4885SMN1; SMN2 4270/4885POLB 4192/4885

“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.