SCHEMBL4388751

SCHEMBL4388751

CC(OC(=O)Cc1ccccc1)C(CCCC(=O)O)(C(=O)O)C(C)OC(=O)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
PAM P19021 1/20 0.41
KLK7 P49862 4/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HDAC3 O15379 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL4390815 0.96 TSHR (0.52) TSHRPAMKLK7MAPK1SMN1; SMN2
SCHEMBL4388772 0.95 TSHR (0.51) TSHRPAMKLK7MAPK1SMN1; SMN2
SCHEMBL4389939 0.95 TSHR (0.51) TSHRPAMKLK7MAPK1SMN1; SMN2
SCHEMBL4389684 0.95 TSHR (0.51) TSHRPAMKLK7MAPK1SMN1; SMN2
SCHEMBL4389706 0.95 TSHR (0.51) TSHRPAMKLK7MAPK1SMN1; SMN2
SCHEMBL4381331 0.95 TSHR (0.51) TSHRPAMKLK7MAPK1SMN1; SMN2
SCHEMBL4383481 0.79 TSHR (0.35) TSHRHDAC11ALDH1A1AKR1B1
SCHEMBL4388761 0.79 HTT (0.44) TSHRMAPK1SMN1; SMN2HDAC3ADRA1A
SCHEMBL4397149 0.78 HTT (0.43) TSHRMAPK1SMN1; SMN2HDAC3ADRA1A
SCHEMBL4395384 0.78 HTT (0.43) TSHRMAPK1SMN1; SMN2HDAC3ADRA1A

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-7629383-B2 Double esters DRUG DISCOVERY LABORATORY AS (NO) 2009-12-08 US disclosed
US-20050203181-A1 Double esters DRUG DISCOVERY LABORATORY AS (NO) 2005-09-15 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-20050203181-A1 Double esters ACACA, CES1, ACACB TSHR 1933/4885PAM 2684/4885KLK7 4541/4885

“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.