SCHEMBL7108953

SCHEMBL7108953

C=C[C@H](OC1CCCCO1)C(C)(C)COCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
CCR5 P51681 1/20 0.31
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DHFR P00374 1/20 0.31
SLC6A3 Q01959 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8517244 0.75 POLB (0.41) POLBCYP1A2KMT2A
SCHEMBL8372062 0.75 POLB (0.41) POLBCYP1A2KMT2A
SCHEMBL27128856 0.75 POLB (0.41) POLBCYP1A2KMT2A
SCHEMBL8517246 0.75 POLB (0.41) POLBCYP1A2KMT2A
SCHEMBL8372064 0.75 POLB (0.41) POLBCYP1A2KMT2A
SCHEMBL4193718 0.74 MEN1 (0.30) MEN1KMT2A
SCHEMBL7103874 0.74 MEN1 (0.30) MEN1KMT2A
SCHEMBL4192717 0.74 MEN1 (0.30) MEN1KMT2A
SCHEMBL10691070 0.73 ALDH1A1 (0.37) KDM4EKDM4CCCR5CYP1A2MEN1
SCHEMBL27032120 0.73 KDM4C (0.38) POLBKDM4CCYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176710-A1 C1-C6-epothilone fragments and process for the production of C1-C6-fragments of epothilones and derivatives thereof SCHERING AG (DE) 2003-09-18 US disclosed
WO-2003053949-A1 C1-C6 FRAGMENTS OF EPOTHILONES AND METHOD FOR PRODUCING SUCH FRAGMENTS AND THE DERIVATIVES THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-03 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 (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-20030176710-A1 C1-C6-epothilone fragments and process for the production of C1-C6-fragments of epothilones and derivatives thereof CYC1, DHPS, C1S POLB 3438/4885KDM4E 4113/4885KDM4C 2449/4885

“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.