SCHEMBL6523748

SCHEMBL6523748

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
PTGS2 P35354 1/20 0.34
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32

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
SCHEMBL6523988 0.92 KIF11 (0.35) HPGDCNR1CNR2MEN1KMT2A
SCHEMBL6520254 0.79 CYP2C19 (0.41) CYP2D6CYP1A2CYP2C19HIF1AHPGD
SCHEMBL6520872 0.78 PTGS2 (0.34) PTGS2HPGDMEN1KMT2AFAAH
SCHEMBL6515804 0.75 KCNN4 (0.41) CYP1A2CYP2C19HIF1AMEN1KMT2A
SCHEMBL6522215 0.75 MAPT (0.41) CYP2D6CYP1A2CYP2C19HIF1AHPGD
SCHEMBL6525851 0.74 CYP2C19 (0.37) CYP1A2CYP2C19HIF1AHPGDLMNA
SCHEMBL6517368 0.74 CYP19A1 (0.38) CYP1A2CYP2C19HIF1AKMT2AALDH1A1
SCHEMBL6518104 0.74 GPR139 (0.38) CYP1A2CYP2C19HPGDMEN1KMT2A
SCHEMBL6515984 0.72 CES1 (0.39) CYP2D6CYP1A2CYP2C19HIF1AMEN1
SCHEMBL6514450 0.72 NPC1 (0.47) CYP1A2MEN1KMT2ALMNAALDH1A1

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 CYP2D6 3383/4885CYP1A2 2053/4885CYP2C19 2771/4885

“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.