SCHEMBL6848136

SCHEMBL6848136

CCCCN(CCC(=O)c1ccco1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.46
ALDH1A1 P00352 3/20 0.45
BCHE P06276 2/20 0.45
ACHE P22303 1/20 0.45
ACKR3 P25106 1/20 0.45
HDAC3 O15379 4/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
NCOR2 Q9Y618 2/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL13562570 0.88 BCHE (0.51) TMEM97ALDH1A1BCHEACHEMAPT
SCHEMBL13562669 0.85 THRA (0.48) ALDH1A1HDAC3THRATHRBMAPT
SCHEMBL13562549 0.85 TMEM97 (0.46) TMEM97ALDH1A1ACHEHDAC3HDAC1
Acetone SCHEMBL27748254 0.80 MAPT (0.56) BCHEACHEACKR3HDAC3HDAC1
SCHEMBL13083462 0.79 ALDH1A1 (0.64) TMEM97ALDH1A1THRATHRBMAPT
SCHEMBL3507027 0.78 HDAC3 (0.55) ALDH1A1HDAC3MAPTCYP1A2CYP3A4
SCHEMBL6847648 0.78 THRA (0.52) ALDH1A1BCHEACHEACKR3HDAC3
SCHEMBL6847797 0.78 THRA (0.55) TMEM97BCHEACHEACKR3HDAC3
SCHEMBL329300 0.78 MAPT (0.66) ALDH1A1BCHEACKR3MAPTMEN1
SCHEMBL1531620 0.77 GAA (0.57) ALDH1A1HDAC3MAPTCYP1A2CYP3A4

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 TMEM97 4553/4885ALDH1A1 2990/4885BCHE 2372/4885

“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.