SCHEMBL821952

SCHEMBL821952

CCCC(O)C(=O)OCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
TSHR P16473 3/20 0.35
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL822143 0.88 ACHE (0.47) ACHETSHRTDP1MGLLGPR84
SCHEMBL4714979 0.86 HDAC1 (0.39) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL821842 0.86 GPR84 (0.52) ACHEMGLLGPR84NAAAFFAR1
SCHEMBL957003 0.84 GPR84 (0.55) ACHEGPR84NAAAFFAR1
SCHEMBL13658517 0.84 GPR84 (0.55) ACHEGPR84NAAAFFAR1
SCHEMBL3790426 0.84 GPR84 (0.55) ACHEGPR84NAAAFFAR1
SCHEMBL822393 0.84 GPR84 (0.55) ACHEGPR84NAAAFFAR1
SCHEMBL30775582 0.83 ALDH1A1 (0.52) TSHRTDP1GPR84NAAAFFAR1
SCHEMBL3017297 0.83 ALDH1A1 (0.52) TSHRTDP1GPR84NAAAFFAR1
SCHEMBL28144438 0.83 HCAR2 (0.36) ACHEHDAC1HDAC2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110287102-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2011-11-24 US disclosed
US-20110287102-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2011-11-24 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-20110287102-A1 CHAIN EXTENDERS UMPS, PUF60, SMCHD1 ACHE 4438/4885HDAC1 3301/4885HDAC2 2831/4885

“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.