SCHEMBL21100939

SCHEMBL21100939

NCCOCCOCCOCCOCCOCCOCCOc1ccc(CN)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
LTA4H P09960 2/20 0.52
APP P05067 4/20 0.47
MAOB P27338 7/20 0.47
TAAR1 Q96RJ0 1/20 0.47
PLA2G2A P14555 1/20 0.46
ST14 Q9Y5Y6 1/20 0.45

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
SCHEMBL23905132 0.87 LTA4H (0.64) KEAP1NFE2L2LTA4HMAOBTAAR1
SCHEMBL7973439 0.87 KEAP1 (0.67) KEAP1NFE2L2LTA4HMAOBST14
Hydrochloric Acid SCHEMBL6573053 0.85 LTA4H (0.62) KEAP1NFE2L2LTA4HMAOBTAAR1
SCHEMBL23798500 0.85 APP (0.49) KEAP1NFE2L2LTA4HAPPTAAR1
SCHEMBL23799321 0.85 LTA4H (0.49) LTA4HAPPTAAR1PLA2G2A
SCHEMBL26659483 0.85 KEAP1 (0.56) KEAP1NFE2L2APPMAOB
Hydrochloric Acid SCHEMBL26601051 0.83 MAOB (0.54) KEAP1NFE2L2APPMAOB
SCHEMBL25975862 0.82 KEAP1 (0.58) KEAP1NFE2L2APPMAOBST14
SCHEMBL1263392 0.82 LTA4H (0.46) LTA4HAPPMAOBTAAR1PLA2G2A
SCHEMBL20128987 0.82 TSHR (0.50) LTA4HAPPMAOBTAAR1PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3773540-B1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS NANOPHARMACEUTICALS LLC (US) 2024-07-03 EP disclosed
US-11351137-B2 Composition and method for dual targeting in treatment of neuroendocrine tumors NANOPHARMACEUTICALS LLC (US) 2022-06-07 US disclosed
US-20210299262-A1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS NANOPHARMACEUTICALS LLC 2021-09-30 US disclosed
US-11077082-B2 Composition and method for dual targeting in treatment of neuroendocrine tumors NANOPHARMACEUTICALS, LLC (US) 2021-08-03 US disclosed
US-20190314314-A1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS NANOPHARMACEUTICALS, LLC 2019-10-17 US disclosed
WO-2019199532-A1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS NANOPHARMACEUTICALS, LLC (US) 2019-10-17 WO disclosed
US-10328043-B1 Composition and method for dual targeting in treatment of neuroendocrine tumors NANOPHARMACEUTICALS, LLC. (US) 2019-06-25 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 (5 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-20190314314-A1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS THRB, TSHR, SLC6A2 KEAP1 3492/4885NFE2L2 4252/4885LTA4H 1759/4885
US-10328043-B1 Composition and method for dual targeting in treatment of neuroendocrine tumors THRB, TSHR, SLC6A2 KEAP1 3492/4885NFE2L2 4252/4885LTA4H 1759/4885
US-11077082-B2 Composition and method for dual targeting in treatment of neuroendocrine tumors THRB, TSHR, SLC6A2 KEAP1 3492/4885NFE2L2 4252/4885LTA4H 1759/4885
US-11351137-B2 Composition and method for dual targeting in treatment of neuroendocrine tumors THRB, TSHR, SLC6A2 KEAP1 3492/4885NFE2L2 4252/4885LTA4H 1759/4885
US-20210299262-A1 COMPOSITION AND METHOD FOR DUAL TARGETING IN TREATMENT OF NEUROENDOCRINE TUMORS THRB, TSHR, SLC6A2 KEAP1 3492/4885NFE2L2 4252/4885LTA4H 1759/4885

“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.