SCHEMBL6846958

SCHEMBL6846958

CC(C)N(CCO)CCC(=O)c1cc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.46
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ACKR3 P25106 1/20 0.42
OPRM1 P35372 4/20 0.42
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
RAB9A P51151 1/20 0.41
SLC9A1 P19634 2/20 0.41
OPRD1 P41143 1/20 0.40
OPRL1 P41146 1/20 0.40

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
SCHEMBL6847647 0.85 ACKR3 (0.51) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12123737 0.80 BCL2L1 (0.54) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13562635 0.75 SMN1; SMN2 (0.55) HDAC1HDAC8RAB9A
SCHEMBL12123735 0.75 BCL2L1 (0.59) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13562622 0.75 ALDH1A1 (0.56) HDAC1RAB9ALMNA
SCHEMBL23782426 0.74 BCL2L1 (0.57) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13562740 0.74 KMT2A (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8537206 0.74 BCL2L1 (0.57) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13562709 0.74 GSK3B (0.47) RAB9AGAAALOX12
SCHEMBL13562746 0.74 GSK3B (0.47) ACKR3RAB9AGAAALOX12

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-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
WO-2011055561-A1 PROTEIN CROSSLINKING INHIBITOR AND USE THEREOF 独立行政法人科学技術振興機構 (JP) 2011-05-12 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-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME ARGLU1, F12, CDKL1 BCL2L1 656/4885HDAC3 1215/4885HDAC4 1956/4885

“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.