SCHEMBL4193152

SCHEMBL4193152

CCCC(=O)C1(CO)CCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HDAC3 O15379 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
FFAR3 O14843 3/20 0.35
MME P08473 1/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CYP2C19 P33261 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CTSD P07339 1/20 0.30

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
SCHEMBL4190520 0.81 CYP2C19 (0.33) FFAR3MMEALDH1A1CYP4F2CYP4A11
SCHEMBL4161110 0.77 CYP2C19 (0.55) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL1142644 0.75 CYP4F2 (0.35) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL19388785 0.74 CYP2C19 (0.41) FFAR3MMETSHRLMNAALDH1A1
SCHEMBL1143161 0.74 LMNA (0.36) CES2CES1LMNAALDH1A1CYP4F2
SCHEMBL30632052 0.73
SCHEMBL27832700 0.72 LMNA (0.32) LMNA
SCHEMBL25972370 0.71 MME (0.32) MMELMNA
SCHEMBL13898741 0.70
SCHEMBL1691128 0.70 SMN1; SMN2 (0.42) LMNAALDH1A1CYP4F2CYP4A11

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 7 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-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-1999007692-A2 NEW EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 1999-02-18 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-20030144523-A1 EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE TUBB1, TUBA1C, TUBB4A CES2 4039/4885CES1 3560/4885HDAC3 3497/4885
US-20090018342-A1 NEW EPOTHIOLONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR PHARMACEUTICAL USE TUBB4A, TUBA1B, TUBB CES2 4395/4885CES1 3549/4885HDAC3 3369/4885

“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.