SCHEMBL25083003

SCHEMBL25083003

COc1cc(CC(C)(C)C)c([N+](=O)[O-])cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CYP3A4 P08684 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ PRKDC P78527 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ LMNA P02545 1/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL14937681 0.88 ALDH1A1 (0.43) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL27982502 0.84 RAB9A (0.50) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL3645769 0.82 ALDH1A1 (0.59) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL124590 0.82 ALDH1A1 (0.63) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL4043187 0.81 ALDH1A1 (0.57) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL18040256 0.80 RAB9A (0.49) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL40798 0.79 ALDH1A1 (0.56) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL5058658 0.79 ALDH1A1 (0.56) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL1261460 0.79 ALDH1A1 (0.56) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL66837 0.79 ALDH1A1 (0.56) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117813550-A Photosensitive surface treating agent, laminate, transistor, pattern forming method, and method for manufacturing transistor 株式会社尼康 2024-04-02 — — CN disclosed
US-20230373962-A1 SUPRAMOLECULAR MOLECULES FOR THE TREATMENT OF CANCER THE UNIVERSITY OF BIRMINGHAM (GB) 2023-11-23 — — US disclosed
WO-2023022042-A1 PHOTOSENSITIVE SURFACE TREATMENT AGENT, LAMINATE, TRANSISTOR, PATTERN FORMATION METHOD, AND TRANSISTOR MANUFACTURING METHOD 株式会社ニコン 2023-02-23 — — 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 (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-20230373962-A1 SUPRAMOLECULAR MOLECULES FOR THE TREATMENT OF CANCER PCNA, DDX1, DDX18 ALDH1A1 4454/4885CYP2D6 3804/4885L3MBTL1 3420/4885

“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.

Send feedback