SCHEMBL6517030

SCHEMBL6517030

CCCCC(CC)CC(CC(=O)OC)=C(CC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
TSHR P16473 3/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RECQL P46063 2/20 0.37
CA2 P00918 5/20 0.37
CA1 P00915 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL227553 0.88 CA2 (0.42) CYP3A4TSHRATMTDP1RECQL
SCHEMBL6517081 0.86 CYP3A4 (0.37) CYP3A4TSHRATMTDP1RECQL
SCHEMBL6514841 0.86 CA2 (0.38) CYP3A4TSHRATMTDP1RECQL
SCHEMBL6515234 0.84 CYP3A4 (0.45) CYP3A4TSHRATMTDP1RECQL
SCHEMBL6515241 0.84 CYP3A4 (0.45) CYP3A4TSHRATMTDP1RECQL
SCHEMBL6519510 0.81 PTGES (0.37) CYP3A4TSHRATMTDP1CA2
SCHEMBL6523943 0.81 ALDH1A1 (0.42) CYP3A4TSHRTDP1CA2ALDH1A1
SCHEMBL226707 0.78 CA2 (0.50) CYP3A4TSHRATMTDP1RECQL
SCHEMBL183724 0.78 CA2 (0.50) CYP3A4TSHRATMTDP1RECQL
SCHEMBL225441 0.78 CA2 (0.50) CYP3A4TSHRATMTDP1RECQL

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed
US-20030118544-A1 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-06-26 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-20030118544-A1 Antifouling coating composition and novel resin COL1A1, GLRA1, COL2A1 CYP3A4 3473/4885TSHR 3581/4885ATM 4559/4885

“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.