SCHEMBL8200625

SCHEMBL8200625

CN1CCNCCNCCNCCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.43
MAPT P10636 1/20 0.43
PDE4A P27815 1/20 0.43
KDR P35968 1/20 0.43
PHGDH O43175 1/20 0.40
CXCR4 P61073 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
ADRB1 P08588 3/20 0.33
SOS1 Q07889 1/20 0.33
SOS2 Q07890 1/20 0.33
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CHKA P35790 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTR3E A5X5Y0 1/20 0.31

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
Methylpiperazine SCHEMBL3658609 1.00 HIF1A (0.43) HIF1AMAPTPDE4AKDRPHGDH
SCHEMBL1702308 1.00 HIF1A (0.43) HIF1AMAPTPDE4AKDRPHGDH
SCHEMBL3111675 1.00 HIF1A (0.43) HIF1AMAPTPDE4AKDRPHGDH
SCHEMBL16289999 0.97 PHGDH (0.43) HIF1AMAPTPDE4AKDRPHGDH
Methylpiperazine SCHEMBL54849 0.96
Methylpiperazine SCHEMBL12678256 0.96
SCHEMBL154155 0.96 PHGDH (0.41) HIF1AMAPTPDE4AKDRPHGDH
Methylpiperazine SCHEMBL12678259 0.96
Methylpiperazine SCHEMBL1363 0.96
Methylpiperazine SCHEMBL12678252 0.96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912650-B2 Bakuchiol derivatives, pharmaceutically acceptable salts thereof, and preparation method and use of the same JIANGXI SHIMEI PHARMACEUTICAL CO., LTD (CN) 2024-02-27 US disclosed
US-11912650-B2 Bakuchiol derivatives, pharmaceutically acceptable salts thereof, and preparation method and use of the same JIANGXI SHIMEI PHARMACEUTICAL CO., LTD (CN) 2024-02-27 US disclosed
EP-4219437-A1 BAKUCHIOL DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Jiangxi Shimei Pharmaceutical Co., Ltd. (CN) 2023-08-02 EP disclosed
US-6084093-A SUBSTITUTED 1,4,7,10,13-PENTAAZACYCLOPENTADECANE MACROCYCLIC LIGANDS; MANGANESE COMPLEXES OF THE LIGAND ARE MIMICS OF SUPEROXIDE DISMUTASE; USEFUL AS THERAPEUTIC AGENTS FOR INFLAMMATORY DISEASES G. D. SEARLE & CO. (US) 2000-07-04 US disclosed
US-5874421-A Manganese complexes of nitrogen-containing macrocyclic ligands effective as catalysts for dismutating superoxide G. D. SEARLE & CO. (US) 1999-02-23 US disclosed
EP-0598753-B1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO CO (US) 1998-03-18 EP disclosed
US-5637578-A AGENTS FOR INFLAMMATION, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHEROSCLEROSIS, AND HYPERTENSION MONSANTO COMPANY 1997-06-10 US disclosed
US-5610293-A TREATMENT OF INFLAMMATORY DISEASES, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHERSCLEROSIS, HYPERTENSION MONSANTO COMPANY (US) 1997-03-11 US disclosed
EP-0598753-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1994-06-01 EP disclosed
WO-1993002090-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1993-02-04 WO disclosed
EP-0524161-A1 Manganese complexes of nitrogen containing macrocyclic ligands effective as catalysts for dismutating superoxide MONSANTO COMPANY (US) 1993-01-20 EP 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-11912650-B2 Bakuchiol derivatives, pharmaceutically acceptable salts thereof, and preparation method and use of the same CEL, NPC1L1, LIPA HIF1A 4322/4885MAPT 3274/4885PDE4A 1853/4885

“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.