SCHEMBL4410281

SCHEMBL4410281

COc1ccc(C2=C3C=CC(=N3)C(c3ccc(O)cc3)=C3C=CC(=N3)C(c3ccc(O)cc3)=C3C=CC(=N3)C(c3ccc(O)cc3)=C3C=CC2=N3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.56
▸ APP P05067 2/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ ME2 P23368 1/20 0.45
▸ ME1 P48163 1/20 0.45
▸ ME3 Q16798 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ABL1 P00519 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL1680192 0.92 ME2 (0.43) ESR2APPME2ME1ME3
Hydrochloric Acid SCHEMBL5534014 0.90 ME2 (0.42) ESR2APPME2ME1ME3
Hydrochloric Acid SCHEMBL15769036 0.88 ME2 (0.41) ESR2APPME2ME1ME3
SCHEMBL28049798 0.80 MMP3 (0.50) ESR2MAPTMEN1KMT2ARAB9A
SCHEMBL6292615 0.80 MMP3 (0.50) ESR2MAPTMEN1KMT2ARAB9A
SCHEMBL8179946 0.78 MMP3 (0.48) ESR2MAPTMEN1KMT2ARAB9A
SCHEMBL9582303 0.78 RPS6KA3 (0.43) ESR2NPC1MAPTMEN1KMT2A
SCHEMBL27864432 0.78 THRB (0.46) ESR2APPLTA4HNPC1MAPT
SCHEMBL28436561 0.78 MMP3 (0.48) ESR2MAPTMEN1KMT2ARAB9A
SCHEMBL28865295 0.78 MMP3 (0.48) ESR2MAPTMEN1KMT2ARAB9A

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-8071760-B2 Boron-containing porphyrin compounds and their uses BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2011-12-06 — — US disclosed
US-20090318680-A1 Boron-Containing Porphyrin Compounds and Their Uses BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2009-12-24 — — US disclosed
EP-1940416-A2 BORON-CONTAINING PORPHYRIN COMPOUNDS AND THEIR USES Board of Supervisors of Louisiana State University and Agricultural and Mechanical College (US) 2008-07-09 — — EP disclosed
WO-2007050564-A2 BORON-CONTAINING PORPHYRIN COMPOUNDS AND THEIR USES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2007-05-03 — — 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-20090318680-A1 Boron-Containing Porphyrin Compounds and Their Uses HMBS, HCCS, PPOX ESR2 1097/4885APP 3842/4885LTA4H 4332/4885

“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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