SCHEMBL6516619

SCHEMBL6516619

C=C(C(=O)O)C(CC(=O)CCc1ccccc1)(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
KCNJ11 Q14654 1/20 0.38
TRPA1 O75762 2/20 0.37
ACP3 P15309 2/20 0.37
FFAR1 O14842 2/20 0.36
AKR1B1 P15121 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
KMT2A Q03164 1/20 0.36
KEAP1 Q14145 1/20 0.36
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HDAC1 Q13547 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
SCHEMBL6516604 0.84 ACP3 (0.39) KCNJ11ACP3KMT2ACYP2C19TDP1
SCHEMBL6518899 0.83 TDP1 (0.39) ACP3AKR1B1GPR52KMT2ATDP1
SCHEMBL6524358 0.80 ACP3 (0.46) ACP3KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL6520280 0.77 TDP1 (0.39) ACP3CYP1A2CYP2C19TDP1L3MBTL1
SCHEMBL6520788 0.75 KMT2A (0.40) KCNJ11ACP3KMT2AL3MBTL1ALDH1A1
SCHEMBL6515918 0.74 ACP3 (0.36) KCNJ11ACP3KMT2AALDH1A1
SCHEMBL6516686 0.73 L3MBTL1 (0.40) ACP3KMT2ACYP2C19TDP1L3MBTL1
SCHEMBL6522226 0.72 MEN1 (0.39) ACP3KMT2AL3MBTL1ALDH1A1
SCHEMBL6525851 0.69 CYP2C19 (0.37) CYP1A2CYP2C19L3MBTL1ALDH1A1CYP3A4
SCHEMBL6518022 0.68 PTPN1 (0.47) GPR52KMT2AHDAC8CYP1A2CYP2D6

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 CYP1A1 729/4885CYP1B1 856/4885KCNJ11 2932/4885

“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.