SCHEMBL17401062

SCHEMBL17401062

COCCOCCNCCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MLYCD O95822 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LTA4H P09960 1/20 0.33
STING1 Q86WV6 1/20 0.33
EPHX2 P34913 1/20 0.32
TSHR P16473 1/20 0.32
DGAT1 O75907 1/20 0.32
TLR2 O60603 1/20 0.31
TLR1 Q15399 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
SCHEMBL19478676 1.00 KDM4E (0.36) KDM4ELMNARECQLTDP1MEN1
SCHEMBL46884 0.90 KDM4E (0.39) KDM4ELMNARECQLTDP1MEN1
SCHEMBL3624896 0.90 KDM4E (0.37) KDM4ETDP1MEN1KMT2AMLYCD
SCHEMBL26689416 0.86 TLR2 (0.38) KDM4ELMNATDP1MEN1KMT2A
SCHEMBL27420943 0.86 TLR2 (0.38) KDM4ELMNATDP1MEN1KMT2A
SCHEMBL17229457 0.86 TLR2 (0.38) KDM4ELMNATDP1MEN1KMT2A
SCHEMBL31231100 0.86 TLR2 (0.38) KDM4ELMNATDP1MEN1KMT2A
SCHEMBL19164207 0.84 TLR2 (0.36) KDM4ETDP1MEN1KMT2AMLYCD
SCHEMBL16086532 0.83 TSHR (0.44) KDM4ELMNARECQLMEN1KMT2A
SCHEMBL24668232 0.83 STING1 (0.37) MLYCDALDH1A1STING1EPHX2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160000933-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLUKHTIN ANDREI (US) 2016-01-07 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-20160000933-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION FCGRT, F13B, EPCAM KDM4E 4629/4885LMNA 4690/4885RECQL 4352/4885

“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.