SCHEMBL6847958

SCHEMBL6847958

CC(C)(C)N(CCC(=O)c1cc2ccccc2s1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.51
BCL2L1 Q07817 1/20 0.47
HDAC3 O15379 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 4/20 0.44
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
NPY2R P49146 2/20 0.43
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
OPRM1 P35372 2/20 0.41
RAB9A P51151 1/20 0.40
ACHE P22303 2/20 0.40
TRPM8 Q7Z2W7 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 0.81 ACKR3 (0.51) ACKR3BCL2L1HDAC3HDAC1HDAC2
SCHEMBL6847677 0.79 NPC1 (0.42) HDAC3HDAC1HDAC4HDAC6OPRM1
SCHEMBL13562711 0.78 ACKR3 (0.49) ACKR3HDAC3HDAC1HDAC4HDAC6
SCHEMBL6847793 0.78 GSK3B (0.43) HDAC3HDAC1HDAC4HDAC6RAB9A
SCHEMBL6847675 0.78 KMT2A (0.40) ACKR3HDAC3HDAC1HDAC4HDAC6
SCHEMBL12123737 0.78 BCL2L1 (0.54) ACKR3BCL2L1HDAC3HDAC1HDAC2
SCHEMBL13562621 0.78 ALDH1A1 (0.51) RAB9A
SCHEMBL6847616 0.77 OPRM1 (0.41) HDAC3HDAC1HDAC4HDAC6OPRM1
SCHEMBL14350189 0.74 KMT2A (0.51) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL11232455 0.73 BCL2L1 (0.64) BCL2L1HDAC3HDAC1HDAC2DYRK1A

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 ACKR3 4329/4885BCL2L1 656/4885HDAC3 1215/4885

“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.