SCHEMBL6522608

SCHEMBL6522608

CC(CC(=O)c1ccc2ccccc2c1)=C(CC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 1/20 0.55
PTPN1 P18031 1/20 0.51
HDAC1 Q13547 5/20 0.49
HDAC8 Q9BY41 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
NR1H4 Q96RI1 2/20 0.44
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL3373461 0.84 PTPN1 (0.65) SMN1; SMN2KDM4EHPGDPTPN1HDAC1
SCHEMBL6515550 0.82 MEN1 (0.57) SMN1; SMN2KDM4EHPGDPTPN1HDAC1
SCHEMBL6547612 0.80 PTPN1 (0.59) SMN1; SMN2KDM4EHPGDPTPN1HDAC1
SCHEMBL2774094 0.79 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EHPGDPTPN1HDAC1
SCHEMBL29489791 0.79 PTPN1 (0.71) SMN1; SMN2KDM4EHPGDPTPN1HDAC1
SCHEMBL1974978 0.79 PTPN1 (0.71) SMN1; SMN2KDM4EHPGDPTPN1HDAC1
SCHEMBL6943793 0.78 ERCC5 (0.63) SMN1; SMN2KDM4EHPGDPTPN1HDAC1
SCHEMBL6519425 0.78 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EHPGDHDAC8NPC1
SCHEMBL1003111 0.77 KDM4E (0.65) SMN1; SMN2KDM4EHPGDPTPN1HDAC1
SCHEMBL29483367 0.77 KDM4E (0.65) SMN1; SMN2KDM4EHPGDPTPN1HDAC1

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 SMN1; SMN2 1768/4885KDM4E 329/4885HPGD 4110/4885

“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.