SCHEMBL5519601

SCHEMBL5519601

COc1ccc(/C=C/C(=O)c2c(OC)cc(OC)c(CC=C(C)C)c2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 18/20 1.00
PDPK1 O15530 1/20 0.73
TTR P02766 1/20 0.73
ALOX5 P09917 1/20 0.73
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL5519605 1.00 ABCB1 (1.00) ABCB1PDPK1TTRALOX5TDP1
SCHEMBL144848 0.92 ABCB1 (0.85) ABCB1PDPK1TTRALOX5
SCHEMBL17585476 0.91 ABCB1 (0.84) ABCB1PDPK1TTRALOX5
SCHEMBL16166211 0.90 ABCB1 (1.00) ABCB1PDPK1TTRALOX5
SCHEMBL16166208 0.90 ABCB1 (1.00) ABCB1PDPK1TTRALOX5
SCHEMBL26539037 0.87 PDPK1 (0.93) ABCB1PDPK1TTRALOX5
SCHEMBL30630210 0.87 PDPK1 (0.93) ABCB1PDPK1TTRALOX5
SCHEMBL13663232 0.85 ABCB1 (0.74) ABCB1PDPK1TTRALOX5TDP1
SCHEMBL4831500 0.85 ABCB1 (0.74) ABCB1PDPK1TTRALOX5TDP1
SCHEMBL4831492 0.85 ABCB1 (0.74) ABCB1PDPK1TTRALOX5TDP1

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-20070092551-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-04-26 US claimed
EP-1623704-A1 THERAPEUTIC AGENT TAKARA BIO INC. (JP) 2006-02-08 EP claimed
US-20070092551-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-04-26 US disclosed
US-20070092551-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-04-26 US disclosed
US-20070092551-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-04-26 US disclosed
EP-1623704-A1 THERAPEUTIC AGENT TAKARA BIO INC. (JP) 2006-02-08 EP disclosed
US-5234951-A Anti-ulcer agent comprising chalcone derivative TSUMURA JUNTENDO, INC. (JP) 1993-08-10 US disclosed
US-5106871-A Reduced side effects TSUMURA & CO. (JP) 1992-04-21 US disclosed
EP-0292576-A1 ANTI-ULCEROUS AGENT CONTAINING CHALCONE DERIVATIVE AS EFFECTIVE INGREDIENT AND NOVEL CHALCONE DERIVATIVES TSUMURA & CO. (JP) 1988-11-30 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 (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-20070092551-A1 Therapeutic agent FABP4, GPR119, IAPP ABCB1 2586/4885PDPK1 312/4885TTR 838/4885

“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.