SCHEMBL514651

SCHEMBL514651

COc1ccc(-c2oc(-c3ccc(OC)c(OC)c3)c(C)c2C)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.60
▸ ABCG2 Q9UNQ0 4/20 0.53
▸ ABCB1 P08183 4/20 0.53
▸ ALDH1A1 P00352 7/20 0.49
▸ KDM4E B2RXH2 6/20 0.49
▸ MAPK1 P28482 6/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ HPGD P15428 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ ACHE P22303 1/20 0.48
▸ CYP3A4 P08684 3/20 0.48

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
SCHEMBL13477776 0.93 PDE4A (0.53) PDE4AABCG2ABCB1ALDH1A1KDM4E
SCHEMBL10026171 0.91 PDE4A (0.51) PDE4AABCG2ABCB1ALDH1A1KDM4E
SCHEMBL29493070 0.85 ALOX5 (0.55) ABCG2ALDH1A1KDM4EMAPK1MEN1
SCHEMBL5485044 0.85 ALOX5 (0.55) ABCG2ALDH1A1KDM4EMAPK1MEN1
SCHEMBL13955872 0.84 PDE4A (0.60) PDE4AABCG2ABCB1ALDH1A1KDM4E
SCHEMBL9238940 0.83 TUBB4A (0.52) ABCG2ABCB1MEN1KMT2AMAPT
SCHEMBL14515226 0.79 CSNK2A2 (0.53) ABCG2ALDH1A1KDM4EMAPK1MEN1
SCHEMBL8840880 0.78 PDE4A (0.67) PDE4AALDH1A1KDM4EMAPK1MEN1
SCHEMBL25869155 0.77 PDE4A (0.47) PDE4AABCG2ABCB1ALDH1A1KDM4E
SCHEMBL8844709 0.76 SMPD3 (0.45) KDM4EKMT2AMAPTLMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029216-A1 SCALABLE SYNTHETIC PROCESS FOR MAKING TERAMEPROCOL ERIMOS PHARMACEUTICALS LLC (US) 2012-02-02 — — US disclosed
US-20120029216-A1 SCALABLE SYNTHETIC PROCESS FOR MAKING TERAMEPROCOL ERIMOS PHARMACEUTICALS LLC (US) 2012-02-02 — — US disclosed
US-20120029216-A1 SCALABLE SYNTHETIC PROCESS FOR MAKING TERAMEPROCOL ERIMOS PHARMACEUTICALS LLC (US) 2012-02-02 — — US disclosed
EP-2318347-A2 SCALABLE SYNTHETIC PROCESS FOR MAKING TERAMEPROCOL Erimos Pharmaceuticals LLC (US) 2011-05-11 — — EP disclosed
WO-2010014936-A2 SCALABLE SYNTHETIC PROCESS FOR MAKING TERAMEPROCOL ERIMOS PHARMACEUTICALS LLC (US) 2010-02-04 — — WO disclosed
WO-2010014936-A2 SCALABLE SYNTHETIC PROCESS FOR MAKING TERAMEPROCOL ERIMOS PHARMACEUTICALS LLC (US) 2010-02-04 — — WO disclosed
US-4619943-A NEUROLEPTIC AGENTS RAO KOPPAKA V 1986-10-28 — — US disclosed
US-4595693-A Method of use of 2,5-diaryl tetrahydrofurans and analogs thereof as PAF-antagonists MERCK & CO., INC. (US) 1986-06-17 — — 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 (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-20120029216-A1 SCALABLE SYNTHETIC PROCESS FOR MAKING TERAMEPROCOL PTGIS, PTGES, POR PDE4A 1354/4885ABCG2 1233/4885ABCB1 1060/4885

“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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