SCHEMBL6410839

SCHEMBL6410839

O=C(O)CCC1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR17 Q13304 6/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ PRKAG1 P54619 1/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ PRKAA1 Q13131 1/20 0.32
▸ PRKAB1 Q9Y478 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ FFAR1 O14842 3/20 0.32
▸ PTPRB P23467 1/20 0.31
▸ CDC25A P30304 1/20 0.31
▸ CDC25B P30305 1/20 0.31
▸ PTEN P60484 1/20 0.31
▸ PTPMT1 Q8WUK0 1/20 0.31
▸ TBXAS1 P24557 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
SCHEMBL499060 0.89 GPR17 (0.31) GPR17CHRM1APEX1KDM4EEGFR
Hydrochloric Acid SCHEMBL3293373 0.88 KDM4E (0.33) GPR17CHRM1APEX1KDM4E
SCHEMBL498445 0.88 GPR17 (0.31) GPR17CHRM1APEX1KDM4E
Hydrochloric Acid SCHEMBL3289309 0.87 KDM4E (0.32) GPR17CHRM1APEX1KDM4E
Hydrochloric Acid SCHEMBL3289280 0.87 KDM4E (0.32) GPR17CHRM1APEX1KDM4E
Hydrochloric Acid SCHEMBL3289312 0.87 TBXAS1 (0.30) GPR17CHRM1APEX1KDM4ETBXAS1
Hydrochloric Acid SCHEMBL3293368 0.87 KDM4E (0.32) GPR17CHRM1APEX1KDM4E
Phenyl Propionic Acid SCHEMBL27936217 0.81 KEAP1 (0.56) CHRM1KDM4EKEAP1FFAR1PTPRB
SCHEMBL10722190 0.78 — —
SCHEMBL9095181 0.77 STAT3 (0.30) —

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
CN-111248217-A Plant growth regulator composition containing chlorin iron and thidiazuron 邢宇俊 2020-06-09 — — CN disclosed
CN-103415286-A Compounds and methods for treating pain AKRON MOLECULES GMBH 2013-11-27 — — CN disclosed
CN-101048536-B Method for forming Sn-Ag-Cu three-element alloy thin film on base FCM CO LTD 2010-12-08 — — CN disclosed
CN-101048536-A Method for forming sn-ag-cu three-element alloy thin film on base FCM CO LTD (JP) 2007-10-03 — — CN disclosed
EP-1450774-A4 CHLORIN PHOTOSENSITIZING AGENTS FOR USE IN PHOTODYNAMIC THERAPY MIRAVANT PHARM INC (US) 2005-10-26 — — EP disclosed
US-20050020559-A1 Chlorin photosensitizing agents for use in photodynamic therapy MIRAVANT PHARMACEUTICALS, INC., 2005-01-27 — — US disclosed
EP-1450774-A2 CHLORIN PHOTOSENSITIZING AGENTS FOR USE IN PHOTODYNAMIC THERAPY Miravant Pharmaceuticals, Inc. (US) 2004-09-01 — — EP disclosed
WO-2003028629-A2 CHLORIN PHOTOSENSITIZING AGENTS FOR USE IN PHOTODYNAMIC THERAPY MIRAVANT PHARMACEUTICALS, INC. (US) 2003-04-10 — — 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-20050020559-A1 Chlorin photosensitizing agents for use in photodynamic therapy VHL, CRY1, PHLPP1 GPR17 3713/4885CHRM1 4469/4885APEX1 1161/4885

“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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