SCHEMBL6525858

SCHEMBL6525858

C=C(C(=O)O)C(CC(=O)OCCOc1ccccc1)(CC(=O)OCCOc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
TSHR P16473 1/20 0.46
PKM P14618 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PARP10 Q53GL7 1/20 0.42
MMP1 P03956 1/20 0.41
MMP12 P39900 1/20 0.41
MAPT P10636 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL6520417 0.88 L3MBTL1 (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL6522450 0.83 CYP19A1 (0.41) ALDH1A1KMT2AHPGDHSD17B10MAPT
SCHEMBL6518125 0.82 TDP1 (0.45) RAB9ASMN1; SMN2NPC1TSHRALDH1A1
SCHEMBL6513718 0.82 TDP1 (0.42) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL6523907 0.79 ALDH1A1 (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL6518644 0.78 PTPN1 (0.40) SMN1; SMN2NPC1TSHRALDH1A1KDM4E
SCHEMBL6520770 0.77 TSHR (0.32) TSHR
SCHEMBL2169186 0.75 THRB (0.54) THRBRAB9ASMN1; SMN2NPC1TSHR
SCHEMBL6516728 0.75 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4738373 0.75 THRB (0.62) THRBRAB9ASMN1; SMN2NPC1TSHR

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 THRB 3136/4885RAB9A 2333/4885SMN1; SMN2 1768/4885

“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.