SCHEMBL23875944

SCHEMBL23875944

CC(C)CCOc1cc(-c2ccccc2[N+](=O)[O-])ccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.44
▸ RECQL P46063 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ XDH P47989 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ AGTR1 P30556 1/20 0.39

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
SCHEMBL30227291 0.83 KDM4E (0.48) RAB9ARECQLNPC1ALDH1A1TDP1
SCHEMBL23875612 0.83 KDM4E (0.48) RAB9ARECQLNPC1ALDH1A1TDP1
SCHEMBL171941 0.79 NPC1 (0.72) RAB9ARECQLNPC1ALDH1A1TDP1
SCHEMBL25783852 0.75 IDO1 (0.44) RAB9ARECQLNPC1ALDH1A1TDP1
SCHEMBL25783846 0.74 PKM (0.58) RAB9ARECQLNPC1ALDH1A1KMT2A
SCHEMBL4259502 0.74 HRH2 (0.49) RAB9ARECQLNPC1ALDH1A1TDP1
SCHEMBL9506168 0.72 NPC1 (0.53) RAB9ARECQLNPC1ALDH1A1TDP1
SCHEMBL6309234 0.72 ALDH1A1 (0.57) RAB9ANPC1ALDH1A1TDP1CTSB
SCHEMBL8001581 0.71 ALDH1A1 (0.48) RAB9ARECQLNPC1ALDH1A1TDP1
SCHEMBL668201 0.71 NPC1 (0.58) RAB9ARECQLNPC1ALDH1A1TDP1

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
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 — — US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 — — US disclosed
WO-2021195346-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-09-30 — — 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-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 RAB9A 3810/4885RECQL 594/4885NPC1 2172/4885

“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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