SCHEMBL6864599

SCHEMBL6864599

OCC1CSC(c2ccc(Oc3ccccc3)cc2)S1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 10/20 0.47
MMP2 P08253 9/20 0.47
MMP14 P50281 9/20 0.47
MMP8 P22894 7/20 0.47
MMP3 P08254 4/20 0.47
MMP7 P09237 3/20 0.47
MMP1 P03956 1/20 0.47
ADAM17 P78536 1/20 0.47
LTA4H P09960 3/20 0.41
KDM1A O60341 1/20 0.41
NR1H2 P55055 1/20 0.37
BAX Q07812 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN3A Q9NY46 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL28751274 0.94 MMP2 (0.41) MMP9MMP2MMP14MMP8MMP3
SCHEMBL6862816 0.86 SLC18A3 (0.34) MMP9MMP2MMP14MMP8MMP3
SCHEMBL6856698 0.85 MMP2 (0.47) MMP9MMP2MMP14MMP8MMP3
SCHEMBL6864202 0.83 KDM1A (0.36) MMP9MMP3KDM1A
SCHEMBL6863029 0.78 HTR2C (0.38) KDM1AKCNH2
SCHEMBL6863277 0.78 THRB (0.41) MMP9MMP2MMP14MMP8MMP3
SCHEMBL6862967 0.77 MMP2 (0.40) MMP9MMP2MMP14MMP8MMP3
SCHEMBL6860853 0.76 MAPT (0.35) KDM1AKCNH2
SCHEMBL5204843 0.76 GABRP (0.31)
SCHEMBL6862850 0.76 MAPT (0.36) ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794471-B2 OF A HYDROXYHYDROCARBYL- OR MERCAPTOHYDROCARBYL- DITHIOLANE; CURED OPTICAL ARTICLE FORMED BY PHOTOPOLYMERIZING THE ACRYLATE MITSUI CHEMICALS, INC. (JP) 2004-09-21 US disclosed
EP-1193264-B1 Acrylic ester compound and usage thereof MITSUI CHEMICALS INC (JP) 2004-03-31 EP disclosed
US-20020061995-A1 Acrylic ester compound and usage thereof MITSUI CHEMICALS, INC. (JP) 2002-05-23 US disclosed
EP-1193264-A1 Acrylic ester compound and usage thereof Mitsui Chemicals, Inc. (JP) 2002-04-03 EP 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-20020061995-A1 Acrylic ester compound and usage thereof ASS1, HAT1, EIF2B1 MMP9 4472/4885MMP2 4270/4885MMP14 4100/4885

“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.