SCHEMBL11622271

SCHEMBL11622271

CC(C)C(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 1/20 0.51
RAB9A P51151 3/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
NPC1 O15118 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.46
POLB P06746 2/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ESR2 Q92731 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL26963087 0.87 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL1985401 0.87 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL15346268 0.87 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL28328240 0.84 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL6809339 0.84 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL27379526 0.83 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL7423312 0.83 ALDH1A1 (0.49) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL8543190 0.82 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL983419 0.81 ALDH1A1 (0.62) ALDH1A1TDP1L3MBTL1HTTRAB9A
SCHEMBL30520310 0.81 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1HTTRAB9A

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-113851656-B Negative electrode piece and lithium ion battery comprising same 珠海冠宇电池股份有限公司 2023-08-15 CN disclosed
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 US disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
WO-2016050210-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR 厦门赛诺邦格生物科技有限公司 2016-04-07 WO disclosed
US-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS AFFYMETRIX, INC. (US) 2011-02-03 US disclosed
US-4074046-A REACTING NITROGENEOUS COMPOUND WITH CARBON MONOXIDE AMERICAN CYANAMID COMPANY (US) 1978-02-14 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 (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-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 ALDH1A1 1061/4885TDP1 3504/4885L3MBTL1 744/4885
US-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS POLL, ERCC5, FBL ALDH1A1 2363/4885TDP1 329/4885L3MBTL1 727/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 ALDH1A1 1582/4885TDP1 4223/4885L3MBTL1 512/4885

“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.