SCHEMBL16518772

SCHEMBL16518772

O=CN1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ DAGLA Q9Y4D2 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ ACE P12821 2/20 0.31
▸ PREP P48147 2/20 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
SCHEMBL18532509 0.84 PARP1 (0.43) PARP1
SCHEMBL21100022 0.82 CNR2 (0.35) CNR2ACE
SCHEMBL29484187 0.79 HSD17B10 (0.52) —
SCHEMBL19658364 0.79 ACE (0.35) ACE
SCHEMBL30439285 0.78 PARP1 (0.39) PARP1
SCHEMBL21100019 0.76 MAPT (0.36) CNR2
SCHEMBL22342473 0.75 ALDH1A1 (0.36) ACE
SCHEMBL12658485 0.74 ACE (0.53) ACE
SCHEMBL16518728 0.74 ACE (0.53) ACE
SCHEMBL16743626 0.73 ACE (0.37) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9572881-B2 Halogenated compounds for photodynamic therapy NANOQUANTUM SCIENCES, INC. (US) 2017-02-21 — — US disclosed
US-20150335745-A1 HALOGENATED COMPOUNDS FOR PHOTODYNAMIC THERAPY NANOQUANTUM SCIENCES, INC. (US) 2015-11-26 — — US disclosed
US-9040721-B2 Halogenated compounds for Photodynamic therapy NANOQUANTUM SCIENCES, INC. (US) 2015-05-26 — — US disclosed
US-8962797-B2 Halogenated compounds for photodynamic therapy NANOQUANTUM SCIENCES, INC. (US) 2015-02-24 — — 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-20150335745-A1 HALOGENATED COMPOUNDS FOR PHOTODYNAMIC THERAPY PNMT, PBRM1, PAICS CNR1 2260/4885CNR2 2794/4885DAGLA 4516/4885

“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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