SCHEMBL3576370

SCHEMBL3576370

CC(C)(C)OC(=O)Nc1ccc(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 3/20 0.43
PRMT1 Q99873 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
PSMB8 P28062 1/20 0.43
PGR P06401 1/20 0.41
CYP3A4 P08684 1/20 0.41
AR P10275 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
SCHEMBL4415459 0.88 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL14233185 0.87 ALDH1A1 (0.44) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL12121153 0.87 CYP17A1 (0.50) ALOX5
SCHEMBL1697905 0.84 RAB9A (0.61) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7448057 0.84 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL396839 0.83 MAPK1 (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL9116516 0.83 ALDH1A1 (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL22897658 0.83 MAPT (0.49) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL79068 0.83 MAPT (0.55) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1181428 0.83 MEN1 (0.58) ALDH1A1LMNAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
US-20230305394-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-20230305393-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
EP-2150514-B1 18F-LABELLED FOLATES Merck & Cie (CH) 2018-10-24 EP disclosed
US-9771368-B2 18F-labelled folates Merck & Cie (CH) 2017-09-26 US disclosed
US-20160159802-A1 18F-LABELLED FOLATES Merck & Cie (CH) 2016-06-09 US disclosed
US-9315506-B2 18F-labelled folates Merck & Cie (CH) 2016-04-19 US disclosed
CN-104447750-A 18F-labelled folates MERCK EPROVA AG 2015-03-25 CN disclosed
US-20100056533-A1 18F-LABELLED FOLATES MERCK EPROVA AG (CH) 2010-03-04 US disclosed
EP-2150514-A2 18F-LABELLED FOLATES Merck Eprova AG (CH) 2010-02-10 EP disclosed
CN-101646670-A 18F-labelled folates MERCK EPROVA AG CH 2010-02-10 CN disclosed
WO-2008125617-A2 18F-LABELLED FOLATES MERCK EPROVA AG (CH) 2008-10-23 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 (2 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-20100056533-A1 18F-LABELLED FOLATES FOLR1, FOLR2, SLC19A1 ALDH1A1 1012/4885LMNA 4538/4885MAPT 2880/4885
US-20160159802-A1 18F-LABELLED FOLATES FOLR1, FOLR2, SLC19A1 ALDH1A1 942/4885LMNA 4435/4885MAPT 2805/4885

“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.