SCHEMBL4192173

SCHEMBL4192173

C[C@@H](CCCCO)COC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8217193 1.00 MEN1 (0.35) MEN1KMT2A
SCHEMBL12306831 0.89 MEN1 (0.35) MEN1KMT2A
SCHEMBL22292551 0.87 MEN1 (0.33) MEN1KMT2A
SCHEMBL4194280 0.85 MEN1 (0.35) MEN1KMT2A
SCHEMBL6526603 0.85 MEN1 (0.35) MEN1KMT2A
SCHEMBL9169435 0.84 MEN1 (0.33) MEN1KMT2A
SCHEMBL9756787 0.84 LMNA (0.38) MEN1KMT2A
SCHEMBL9756788 0.84 LMNA (0.38) MEN1KMT2A
SCHEMBL7826832 0.83 ALDH1A1 (0.35) MEN1KMT2A
SCHEMBL10396014 0.83 MEN1 (0.36) MEN1KMT2A

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-20090018342-A1 NEW EPOTHIOLONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR PHARMACEUTICAL USE KLAR ULRICH 2009-01-15 US disclosed
US-7407975-B2 Epothilone derivatives, method for producing same and their pharmaceutical use BAYER SCHERING PHARMA AG (DE) 2008-08-05 US disclosed
EP-1847540-A1 Nouveaux dérivés d'épothilone, leur procédé de production et leur utilisation pharmaceutique Bayer Schering Pharma Aktiengesellschaft (DE) 2007-10-24 EP disclosed
EP-1005465-B1 NEW EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE BAYER SCHERING PHARMA AG (DE) 2007-07-25 EP disclosed
US-20060040990-A1 Epothilone derivatives, process for their production, and their pharmaceutical use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-02-23 US disclosed
US-7001916-B1 Epothilon derivatives, method for the production and the use thereof as pharmaceuticals SCHERING, AG (DE) 2006-02-21 US disclosed
US-20030144523-A1 EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-07-31 US disclosed
EP-1005465-A2 NEW EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 2000-06-07 EP disclosed
WO-2000000485-A1 EPOTHILON DERIVATIVES, THEIR PREPARATION PROCESS, INTERMEDIATE PRODUCTS AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 2000-01-06 WO disclosed
WO-1999007692-A2 NEW EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 1999-02-18 WO disclosed
US-5081152-A AZULENE DERIVATIVES AS THROMBOXANE A2 AND PROSTAGLANDIN ENDOPEROXIDE RECEPTOR ANTAGONIST KOTOBUKI SEIYAKU CO., LTD. (JP) 1992-01-14 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 (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-20060040990-A1 Epothilone derivatives, process for their production, and their pharmaceutical use PTGIS, PTGES, PTGES2 MEN1 3582/4885KMT2A 4560/4885
US-20030144523-A1 EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE TUBB1, TUBA1C, TUBB4A MEN1 3225/4885KMT2A 3537/4885
US-20090018342-A1 NEW EPOTHIOLONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR PHARMACEUTICAL USE TUBB4A, TUBA1B, TUBB MEN1 2495/4885KMT2A 2714/4885

“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.