SCHEMBL6515874

SCHEMBL6515874

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL6518600 0.90 L3MBTL1 (0.49) RAB9ANPC1MAPTHPGDMEN1
SCHEMBL6519680 0.83 L3MBTL1 (0.42) RAB9ANPC1TSHRHPGDMEN1
SCHEMBL9180568 0.82 THRB (0.57) RAB9ANPC1SMN1; SMN2TSHRTHRB
SCHEMBL6523871 0.82 TDP1 (0.38) SMN1; SMN2TSHRHPGDKDM4ETDP1
SCHEMBL6523830 0.82 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1LMNAKDM4ETDP1
SCHEMBL6523976 0.79 ALDH1A1 (0.47) RAB9ANPC1KMT2AALDH1A1KDM4E
SCHEMBL6524300 0.78 FNTA (0.33) TSHRALDH1A1
SCHEMBL6525863 0.77 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TSHRTHRB
SCHEMBL6517084 0.76 HCAR2 (0.34) SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL1871138 0.76 THRB (0.57) RAB9ANPC1SMN1; SMN2TSHRTHRB

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 RAB9A 2333/4885NPC1 3563/4885SMN1; 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.