SCHEMBL4470464

SCHEMBL4470464

COC(OC)C(=O)CC(=O)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLOD2 O00469 3/20 0.53
▸ CYP1A2 P05177 3/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ PLOD3 O60568 2/20 0.53
▸ PLOD1 Q02809 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MPO P05164 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ PTGS2 P35354 1/20 0.41

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
SCHEMBL31466251 0.80 PLOD2 (0.58) PLOD2CYP1A2CYP2C19ALDH1A1PLOD3
SCHEMBL1919299 0.78 PLOD2 (0.60) PLOD2CYP1A2CYP2C19ALDH1A1PLOD3
SCHEMBL10948430 0.77 PLOD2 (0.83) PLOD2CYP1A2CYP2C19ALDH1A1PLOD3
SCHEMBL31465822 0.77 PLOD2 (0.58) PLOD2CYP1A2CYP2C19ALDH1A1PLOD3
SCHEMBL31407204 0.76 L3MBTL1 (0.56) PLOD2CYP1A2CYP2C19ALDH1A1PLOD3
SCHEMBL1062957 0.75 PLOD2 (0.56) PLOD2CYP1A2CYP2C19ALDH1A1PLOD3
SCHEMBL27908332 0.74 PLOD2 (0.55) PLOD2CYP1A2CYP2C19ALDH1A1PLOD3
SCHEMBL3108729 0.74 PLOD2 (0.64) PLOD2CYP1A2CYP2C19ALDH1A1PLOD3
SCHEMBL2587127 0.72 ALDH1A1 (0.53) PLOD2CYP1A2CYP2C19ALDH1A1PLOD3
SCHEMBL15635368 0.72 GRM4 (0.50) ALDH1A1HPGDL3MBTL1KDM4ELMNA

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-9260395-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-02-16 — — US disclosed
US-9260395-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-02-16 — — US disclosed
US-9260395-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-02-16 — — US disclosed
US-20150274673-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses HIVIH (FR) 2015-10-01 — — US disclosed
US-20150274673-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses HIVIH (FR) 2015-10-01 — — US disclosed
US-20150274673-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses HIVIH (FR) 2015-10-01 — — US disclosed
EP-2903969-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2015-08-12 — — EP disclosed
WO-2014053665-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-04-10 — — WO disclosed
US-7479501-B2 Heteroaryl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2009-01-20 — — US disclosed
US-20050090501-A1 Heteroaryl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2005-04-28 — — US disclosed
EP-1140916-B1 HETEROARYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2002-11-13 — — 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-20150274673-A1 Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses RPL35, EIF2AK2, POLRMT PLOD2 4447/4885CYP1A2 2632/4885CYP2C19 2416/4885
US-20050090501-A1 Heteroaryl-cyclic acetals TNF, TNFRSF1A, CD40 PLOD2 3250/4885CYP1A2 63/4885CYP2C19 128/4885

“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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