SCHEMBL15134641

SCHEMBL15134641

O=C(OCC1CCCCC1)c1ccc(OCC2CCCCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.43
PARP15 Q460N3 4/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP2 Q9UGN5 1/20 0.38
HPGD P15428 1/20 0.38
EGFR P00533 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
TP53 P04637 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL15969067 0.93 PARP15 (0.40) PARP10PARP15LMNAPOLBRECQL
SCHEMBL15129126 0.81 ALDH1A1 (0.48) LMNAPOLBRECQLL3MBTL1MEN1
SCHEMBL11660279 0.79 LMNA (0.39) LMNAPOLBRECQLL3MBTL1MEN1
SCHEMBL15129182 0.79 PARP10 (0.40) PARP10PARP15PARP2HPGDTHRA
SCHEMBL11655346 0.78 TSHR (0.40) LMNAPOLBMEN1KMT2ATP53
SCHEMBL15968070 0.77 PARP15 (0.41) PARP10PARP15PARP2HPGD
SCHEMBL28024080 0.74 RAB9A (0.55) LMNAL3MBTL1MEN1KMT2AHPGD
SCHEMBL15129077 0.73 PARP10 (0.46) PARP10PARP15LMNAPARP2THRA
SCHEMBL3468807 0.73 PARP15 (0.54) PARP10PARP15LMNAMEN1KMT2A
SCHEMBL11661811 0.73 ALDH1A1 (0.51) POLBL3MBTL1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447078-B2 Substituted heterocyclic compounds for disease treatment ACUCELA INC. (US) 2016-09-20 US disclosed
US-9447078-B2 Substituted heterocyclic compounds for disease treatment ACUCELA INC. (US) 2016-09-20 US disclosed
US-20130225619-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2013-08-29 US disclosed
US-20130225619-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2013-08-29 US disclosed
WO-2013109991-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2013-07-25 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-20130225619-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT CLN6, ALDH1A2, PDE6D PARP10 1282/4885PARP15 1658/4885LMNA 579/4885

“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.