SCHEMBL5347798

SCHEMBL5347798

OC[C@H]1O[C@@H](Oc2ccc(-c3c4nc(c(-c5ccc(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)cc5)c5ccc([nH]5)c(-c5ccc(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)cc5)c5nc(c(-c6ccc(O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)cc6)c6ccc3[nH]6)CC5)CC4)cc2)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 2/20 0.54
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 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
SCHEMBL5348943 1.00 TYR (0.54) TYRDRD2DRD4KDM4EALDH1A1
SCHEMBL8072136 0.94 TYR (0.48) TYRDRD2DRD4KDM4EALDH1A1
SCHEMBL4383594 0.88 TYR (0.45) TYR
SCHEMBL5349781 0.88 TYR (0.45) TYR
SCHEMBL22111055 0.86 TYR (0.55) TYRKDM4EALDH1A1
SCHEMBL14181426 0.83 TYR (0.39) TYR
SCHEMBL4395822 0.83 TYR (0.41) TYR
SCHEMBL14181424 0.82 TYR (0.40) TYR
SCHEMBL14181422 0.82 TYR (0.40) TYR
SCHEMBL14181421 0.82 TYR (0.40) TYR

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
US-7157432-B2 Tetraphenylbacteriochlorin derivatives and compositions containing the same SAN-EI GEN F.F.I., INC. (JP) 2007-01-02 — — US disclosed
US-20060003946-A1 Tissue-penetrating property, and exhibits high selectivity to tumor cells and hydrophilicity REI MEDICAL CO., LTD. (JP) 2006-01-05 — — US disclosed
EP-1316558-B9 TETRAPHENYLBACTERIOCHLORIN DERIVATIVES AND COMPOSITIONS CONTAINING THE SAME SAN EI GEN FFI INC (JP) 2005-12-07 — — EP disclosed
US-6958389-B2 Tetraphenylbacteriochlorin derivatives and compositions containing the same SAN-EI GEN F.F.I. INC. (JP) 2005-10-25 — — US disclosed
EP-1316558-B1 TETRAPHENYLBACTERIOCHLORIN DERIVATIVES AND COMPOSITIONS CONTAINING THE SAME SAN EI GEN FFI INC (JP) 2005-08-17 — — EP disclosed
US-20030171305-A1 Tetraphenylbacteriochlorin derivatives and compositions containing the same REI MEDICAL CO., LTD. (JP) 2003-09-11 — — US disclosed
EP-1316558-A1 TETRAPHENYLBACTERIOCHLORIN DERIVATIVES AND COMPOSITIONS CONTAINING THE SAME SAN-EI GEN F.F.I., INC. (JP) 2003-06-04 — — 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 (2 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-20030171305-A1 Tetraphenylbacteriochlorin derivatives and compositions containing the same SCNN1B, SLC7A1, MGMT TYR 3099/4885DRD2 2240/4885DRD4 1276/4885
US-20060003946-A1 Tissue-penetrating property, and exhibits high selectivity to tumor cells and hydrophilicity CD68, SLC7A1, SLC11A2 TYR 2941/4885DRD2 1776/4885DRD4 1406/4885

“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.

Send feedback