SCHEMBL1485948

SCHEMBL1485948

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(N(C)C)C(O)C(C)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 7/20 1.00
PAX8 Q06710 5/20 1.00
HSP90AA1 P07900 4/20 1.00
MEN1 O00255 8/20 0.82
KMT2A Q03164 8/20 0.82
THRB P10828 7/20 0.82
BLM P54132 7/20 0.82
RECQL P46063 6/20 0.82
BRCA1 P38398 6/20 0.82
TOP2A P11388 5/20 0.82
TDP1 Q9NUW8 5/20 0.82
HIF1A Q16665 5/20 0.82
SMN1; SMN2 Q16637 5/20 0.82
MAPT P10636 4/20 0.82
MAPK1 P28482 4/20 0.82
PTGS1 P23219 3/20 0.82
CHRM1 P11229 3/20 0.82
TBXA2R P21731 3/20 0.82
KDM4E B2RXH2 3/20 0.82
ALDH1A1 P00352 3/20 0.82

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
SCHEMBL29648501 1.00 S100A4 (1.00) S100A4PAX8HSP90AA1MEN1KMT2A
Hydrochloric Acid SCHEMBL31237243 0.99 S100A4 (0.99) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL17514312 0.94 S100A4 (0.90) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL28160200 0.94 S100A4 (0.89) S100A4PAX8HSP90AA1MEN1KMT2A
Hydrochloric Acid SCHEMBL31238308 0.93 S100A4 (0.86) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL7805182 0.93 S100A4 (0.86) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL29338082 0.92 S100A4 (1.00) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL8639928 0.92 S100A4 (1.00) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL3036863 0.92 S100A4 (0.86) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL29132019 0.92 S100A4 (0.85) S100A4PAX8HSP90AA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110076318-A1 RETINOID-CONTAINING SUSTAINED RELEASE INTRAOCULAR IMPLANTS AND RELATED MATTERS ALLERGAN, INC. 2011-03-31 US disclosed
US-20090163550-A1 RETINOID-CONTAINING SUSTAINED RELEASE INTRAOCULAR IMPLANTS AND RELATED METHODS ALLERGAN, INC. (US) 2009-06-25 US disclosed
EP-1765284-A1 RETINOID-CONTAINING SUSTAINED RELEASE INTRAOCULAR DRUG DELIVERY SYSTEMS AND RELATED METHODS OF MANUFACTURING Allergan, Inc. (US) 2007-03-28 EP disclosed
US-20050271705-A1 Retinoid-containing sustained release intraocular drug delivery system and related methods ALLERGAN, INC. (US) 2005-12-08 US disclosed
WO-2005107707-A1 RETINOID-CONTAINING SUSTAINED RELEASE INTRAOCULAR DRUG DELIVERY SYSTEMS AND RELATED METHODS OF MANUFACTURING ALLERGAN, INC. (US) 2005-11-17 WO disclosed
EP-0345598-B1 Anthracycline derivatives with a cytostatic activity BEHRINGWERKE AG (DE) 1998-08-12 EP disclosed
US-5260425-A Anthracycline derivatives having cytostatic activity BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed
EP-0345598-A2 Anthracycline derivatives with a cytostatic activity BEHRINGWERKE Aktiengesellschaft (DE) 1989-12-13 EP disclosed
US-4202967-A ANTITUMOR SRI INTERNATIONAL (US) 1980-05-13 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 (3 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-20110076318-A1 RETINOID-CONTAINING SUSTAINED RELEASE INTRAOCULAR IMPLANTS AND RELATED MATTERS RARG, RARB, RARA S100A4 3499/4885PAX8 75/4885HSP90AA1 1241/4885
US-20090163550-A1 RETINOID-CONTAINING SUSTAINED RELEASE INTRAOCULAR IMPLANTS AND RELATED METHODS RARB, RARG, RARA S100A4 3545/4885PAX8 76/4885HSP90AA1 714/4885
US-20050271705-A1 Retinoid-containing sustained release intraocular drug delivery system and related methods RARB, RARG, RARA S100A4 4100/4885PAX8 98/4885HSP90AA1 811/4885

“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.