SCHEMBL4485916

SCHEMBL4485916

COc1ccc(C(=O)/C=C/c2ccc(O)cc2)c2c1CC(C(C)(C)O)O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.52
▸ CAPN1 P07384 1/20 0.52
▸ PARP1 P09874 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ XDH P47989 1/20 0.49
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ABCG2 Q9UNQ0 5/20 0.46
▸ CTSL P07711 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4485920 1.00 MAOB (0.52) MAOBCAPN1PARP1MAOAXDH
SCHEMBL29435848 0.79 BACE1 (0.47) MAOBCAPN1PARP1MAOAMEN1
SCHEMBL5997891 0.78 MAOB (0.52) MAOBCAPN1PARP1MAOAXDH
SCHEMBL14523845 0.78 MAOB (0.52) MAOBCAPN1PARP1MAOAXDH
SCHEMBL29589724 0.78 MAOB (0.52) MAOBCAPN1PARP1MAOAXDH
SCHEMBL23965858 0.75 TYR (0.53) CAPN1ABCG2CTSLALDH1A1
SCHEMBL10824463 0.70 TUBB1 (0.76) MAOBCAPN1PARP1MAOAXDH
SCHEMBL10824465 0.70 TUBB1 (0.76) MAOBCAPN1PARP1MAOAXDH
SCHEMBL2027068 0.70 MAOB (1.00) MAOBCAPN1PARP1MAOAXDH
SCHEMBL799750 0.70 MAOB (1.00) MAOBCAPN1PARP1MAOAXDH

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 11 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-7498357-B2 1-[2,3-dihydro-4-hydroxy-2-(1-hydroxy-1,5-dimethyl-4-hexenyl)-benzofuran-5-yl]-3-(4-hydroxyphenyl)-2-propen-1-one; antiinflammatory, anticarcinogenic agent; nitrogen monoxide (NO) production suppresant, aldose reductase inhibitor; chronic rheumatic arthritis, osteoarthritis, gouty arthritis TAKARA BIO INC. (JP) 2009-03-03 — — US disclosed
US-7498357-B2 1-[2,3-dihydro-4-hydroxy-2-(1-hydroxy-1,5-dimethyl-4-hexenyl)-benzofuran-5-yl]-3-(4-hydroxyphenyl)-2-propen-1-one; antiinflammatory, anticarcinogenic agent; nitrogen monoxide (NO) production suppresant, aldose reductase inhibitor; chronic rheumatic arthritis, osteoarthritis, gouty arthritis TAKARA BIO INC. (JP) 2009-03-03 — — US disclosed
US-20070112066-A1 Remedy TAKARA BIO INC. (JP) 2007-05-17 — — US disclosed
US-20070112066-A1 Remedy TAKARA BIO INC. (JP) 2007-05-17 — — 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
US-20070092551-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-04-26 — — US disclosed
EP-1702912-A1 REMEDY TAKARA BIO INC. (JP) 2006-09-20 — — EP disclosed
EP-1623704-A1 THERAPEUTIC AGENT TAKARA BIO INC. (JP) 2006-02-08 — — 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-20070112066-A1 Remedy AKR1B1, AKR1C2, ALDOA MAOB 679/4885CAPN1 4528/4885PARP1 4726/4885
US-20070092551-A1 Therapeutic agent FABP4, GPR119, IAPP MAOB 4382/4885CAPN1 2082/4885PARP1 4836/4885

“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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