SCHEMBL3179673

SCHEMBL3179673

COc1cc(O)c2ccc(=O)oc2c1CC=C(C)CCC=C(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.67
▸ ABCB1 P08183 2/20 0.54
▸ ALOX5 P09917 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ XPO1 O14980 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GABRA1 P14867 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ GABRB2 P47870 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.53
▸ BACE1 P56817 3/20 0.52
▸ DYRK1A Q13627 1/20 0.52
▸ DYRK1B Q9Y463 1/20 0.52
▸ BCHE P06276 3/20 0.52
▸ NDUFS8 O00217 1/20 0.51
▸ COXFA4 O00483 1/20 0.51
▸ NDUFAB1 O14561 1/20 0.51
▸ NDUFA1 O15239 1/20 0.51
▸ NDUFS4 O43181 1/20 0.51
▸ NDUFB5 O43674 1/20 0.51

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
SCHEMBL13532216 1.00 PDE4D (0.67) PDE4DABCB1ALOX5CYP3A4XPO1
SCHEMBL30379956 0.90 PDE4D (0.81) PDE4DABCB1ALOX5CYP3A4XPO1
SCHEMBL16341040 0.81 PDE4D (1.00) PDE4DABCB1ALOX5CYP3A4XPO1
SCHEMBL30158338 0.76 MAOA (0.78) ABCB1ALOX5CYP3A4XPO1ALDH1A1
SCHEMBL24075636 0.76 MAOA (0.78) ABCB1ALOX5CYP3A4XPO1ALDH1A1
SCHEMBL13532215 0.76 BACE1 (0.57) PDE4DABCB1ALOX5CYP3A4ALDH1A1
SCHEMBL28699738 0.73 MAOB (0.62) ALOX5PTGS2BCHEPPARGPTGES
SCHEMBL27442812 0.72 VKORC1 (0.67) ALOX5BCHEPPARGPTGESMAOA
SCHEMBL24075603 0.71 KDM4E (0.78) PDE4DABCB1ALOX5CYP3A4XPO1
Mulberrofuran B SCHEMBL31237319 0.71 BACE1 (0.68) ABCB1ALOX5CYP3A4XPO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016419-A1 ANTIBACTERIAL COMPOSITION TAKEUCHI RYO 2010-01-21 — — US claimed
EP-1788878-B1 ANTIBACTERIAL COMPOSITION TAKASAGO PERFUMERY CO LTD (JP) 2008-10-15 — — EP claimed
US-20080096958-A1 Antibacterial Composition TAKEUCHI RYO 2008-04-24 — — US claimed
US-20100016419-A1 ANTIBACTERIAL COMPOSITION TAKEUCHI RYO 2010-01-21 — — US disclosed
US-20100016419-A1 ANTIBACTERIAL COMPOSITION TAKEUCHI RYO 2010-01-21 — — US disclosed
EP-1788878-B1 ANTIBACTERIAL COMPOSITION TAKASAGO PERFUMERY CO LTD (JP) 2008-10-15 — — EP disclosed
EP-1788878-B1 ANTIBACTERIAL COMPOSITION TAKASAGO PERFUMERY CO LTD (JP) 2008-10-15 — — EP disclosed
US-20080096958-A1 Antibacterial Composition TAKEUCHI RYO 2008-04-24 — — US disclosed
CN-101022732-A Antibacterial composition TAKASAGO PERFUMERY CO LTD (JP) 2007-08-22 — — CN disclosed
EP-1788878-A1 ANTIBACTERIAL COMPOSITION Takasago International Corporation (JP) 2007-05-30 — — EP disclosed
EP-1788878-A1 ANTIBACTERIAL COMPOSITION Takasago International Corporation (JP) 2007-05-30 — — EP disclosed
WO-2006028025-A1 ANTIBACTERIAL COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-16 — — WO disclosed
WO-2006028025-A1 ANTIBACTERIAL COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-16 — — 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 (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-20080096958-A1 Antibacterial Composition SPOUT1, NOP2, CASP7 PDE4D 3995/4885ABCB1 587/4885ALOX5 1302/4885
US-20100016419-A1 ANTIBACTERIAL COMPOSITION SPOUT1, CASP7, NOP2 PDE4D 3988/4885ABCB1 624/4885ALOX5 1296/4885

“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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