SCHEMBL17820331

SCHEMBL17820331

C=C(OCC)c1nccc(COC(C)=O)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CDC7 O00311 2/20 0.32
▸ DBF4 Q9UBU7 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ NUDT1 P36639 1/20 0.32
▸ CYSLTR2 Q9NS75 1/20 0.32
▸ CYSLTR1 Q9Y271 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL24920994 0.84 RXRA (0.34) ALDH1A1
SCHEMBL24922656 0.82 CYP1A2 (0.32) ALDH1A1HSD17B10CYP1A2NUDT1NPC1
SCHEMBL22450961 0.82 CDC7 (0.36) ALDH1A1CYP1A2CDC7DBF4NUDT1
SCHEMBL17819963 0.81 CDC7 (0.33) LMNACYP1A2CDC7DBF4NUDT1
SCHEMBL17819976 0.80 DGAT1 (0.33) CYP1A2NPC1MAPTKDM4E
SCHEMBL17819953 0.80 DGAT1 (0.30) CYP1A2
SCHEMBL17819545 0.77 ALDH1A1 (0.34) ALDH1A1HSD17B10LMNACYP1A2L3MBTL1
SCHEMBL30212197 0.77 — —
SCHEMBL28964554 0.77 — —
SCHEMBL17819845 0.76 ALOX15 (0.36) ALDH1A1CYP1A2CDC7DBF4NPC1

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
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 — — EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 — — US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 — — US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 — — US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 — — EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 — — US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 — — US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 — — 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 (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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 ALDH1A1 2519/4885HSD17B10 2439/4885LMNA 2540/4885

“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.

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