SCHEMBL4309686

SCHEMBL4309686

O=C(O)c1ccccc1OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.64
▸ EPHX2 P34913 1/20 0.49
▸ CNR2 P34972 3/20 0.47
▸ FAAH O00519 2/20 0.47
▸ CNR1 P21554 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ HPGD P15428 6/20 0.45
▸ HSD17B10 Q99714 6/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ HMGB1 P09429 1/20 0.45
▸ GGT1 P19440 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ NAPRT Q6XQN6 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KMT2A Q03164 2/20 0.44

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
SCHEMBL2746395 0.91 KDM4E (0.57) KDM4EEPHX2CNR2FAAHCNR1
SCHEMBL2746617 0.78 KDM4E (0.53) KDM4EEPHX2CNR2FAAHCNR1
SCHEMBL14244393 0.75 KDM4E (0.64) KDM4EEPHX2CNR2FAAHCNR1
SCHEMBL6859389 0.74 MEN1 (0.39) KDM4EEPHX2CNR2FAAHCNR1
SCHEMBL8134445 0.73 CYP19A1 (0.46) KDM4ECNR2FAAHALDH1A1HPGD
SCHEMBL3927497 0.73 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3793920 0.73 ALDH1A1 (0.41) KDM4EEPHX2CNR2FAAHALDH1A1
Phthalic Acid SCHEMBL28793332 0.72 ALDH1A1 (0.70) KDM4EALDH1A1HPGDHSD17B10HMGB1
SCHEMBL16793242 0.72 TRPV6 (0.40) KDM4EEPHX2CNR2FAAHCNR1
SCHEMBL27890922 0.72 ALDH1A1 (0.46) KDM4EEPHX2CNR2FAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734208-B2 ADJUSTMENT TRANSFORMING GROWTH FACTOR CONCENTRATION; ANTIINFLAMMATORY AGENTS NEORX CORPORATION 2004-05-11 — — US claimed
US-7511070-B2 Compounds and therapies for the prevention of vascular and non-vascular pathologies PONIARD PHARMACEUTICALS, INC. (US) 2009-03-31 — — US disclosed
US-7084171-B2 Compounds and therapies for the prevention of vascular and non-vascular pathologies NEORX CORPORATION (US) 2006-08-01 — — US disclosed
US-20060084696-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies PONIARD PHARMACEUTICALS, INC. 2006-04-20 — — US disclosed
US-20050020667-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies PONIARD PHARMACEUTICALS, INC. 2005-01-27 — — US disclosed
US-6734208-B2 ADJUSTMENT TRANSFORMING GROWTH FACTOR CONCENTRATION; ANTIINFLAMMATORY AGENTS NEORX CORPORATION 2004-05-11 — — US disclosed
US-20030064970-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies NEORX CORPORATION 2003-04-03 — — US disclosed
US-6410587-B1 FIBROSIS; ALZHEIMER'S DISEASE; ANTIARTHRITIC AGENTS NEORX CORPORATION 2002-06-25 — — US disclosed
US-6117911-A ADMINISTRATION OF AT LEAST ONE THERAPEUTIC AGENT THAT ELEVATES THE LEVEL OF TGF-BETA IN SAID MAMMAL. NEORX CORPORATION (US) 2000-09-12 — — US disclosed
WO-1998046588-A2 COMPOUNDS AND THERAPIES FOR THE PREVENTION OF VASCULAR AND NON-VASCULAR PATHOLOGIES NEORX CORPORATION (US) 1998-10-22 — — 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 (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-20060084696-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies TGFB1, TGFB2, TEK KDM4E 3256/4885EPHX2 710/4885CNR2 1099/4885
US-20050020667-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies TGFB1, TGFB2, TEK KDM4E 3256/4885EPHX2 710/4885CNR2 1099/4885
US-20030064970-A1 Compounds and therapies for the prevention of vascular and non-vascular pathologies TGFB1, TGFB2, TEK KDM4E 3256/4885EPHX2 710/4885CNR2 1099/4885

“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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