SCHEMBL6518850

SCHEMBL6518850

COCCOC(=O)CC(=C(CC(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
HPGD P15428 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
ESRRB O95718 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSP90AA1 P07900 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL6524262 0.89 TDP1 (0.44) HPGDTDP1POLBRAB9ANPC1
SCHEMBL6515811 0.85 ESRRB (0.47) TSHRHPGDTDP1POLBRAB9A
SCHEMBL6518930 0.81 TSHR (0.40) TSHRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL6517071 0.80 ALDH1A1 (0.50) TDP1RAB9ANPC1HTTKMT2A
SCHEMBL6518657 0.78 TDP1 (0.42) TSHRTDP1NPC1KMT2AMEN1
SCHEMBL28740463 0.77 KMT2A (0.53) TSHRHPGDTDP1POLBRAB9A
SCHEMBL6517378 0.77 ELANE (0.43) HPGDTDP1RAB9ANPC1ESRRB
SCHEMBL6520267 0.76 MAPT (0.41) TSHRHPGDTDP1POLBRAB9A
SCHEMBL6520772 0.76 TSHR (0.33) TSHRALDH1A1
SCHEMBL6514397 0.75 LMNA (0.47) HPGDTDP1RAB9ANPC1KMT2A

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 TSHR 3581/4885HPGD 4110/4885TDP1 1789/4885

“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.