SCHEMBL6862967

SCHEMBL6862967

C=C(C)C(=O)OCC1CSC(c2ccc(Oc3ccccc3)cc2)S1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.40
MMP9 P14780 11/20 0.40
MMP14 P50281 8/20 0.40
MMP8 P22894 6/20 0.40
MMP1 P03956 2/20 0.40
MMP3 P08254 2/20 0.40
MMP7 P09237 2/20 0.40
ADAM17 P78536 1/20 0.40
ALDH1A1 P00352 1/20 0.35
ELANE P08246 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
CRHBP P24387 1/20 0.33
RAB9A P51151 1/20 0.33
CRHR2 Q13324 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL7041104 0.91 ALDH1A1 (0.39) ALDH1A1ELANEPOLBAPEX1HTT
SCHEMBL5209650 0.89 ALDH1A1 (0.42) ALDH1A1POLBAPEX1HTTTDP1
SCHEMBL6860962 0.89 ALDH1A1 (0.36) ALDH1A1ELANEHTTNPC1RAB9A
SCHEMBL6860789 0.87 GAA (0.39) ALDH1A1POLBAPEX1HTTTDP1
SCHEMBL6861810 0.85 CA1 (0.42) ALDH1A1KMT2AATM
SCHEMBL6856476 0.84 ALDH1A1 (0.35) ALDH1A1HTTNPC1RAB9A
SCHEMBL6856471 0.84 ALDH1A1 (0.42) ALDH1A1HTTTDP1CRHBPCRHR2
SCHEMBL6862847 0.84 ALDH1A1 (0.38) ALDH1A1POLBNPC1HPGDRAB9A
SCHEMBL5209184 0.84 ALDH1A1 (0.38) ALDH1A1POLBAPEX1HTTTDP1
SCHEMBL6863277 0.83 THRB (0.41) MMP2MMP9MMP14MMP8MMP1

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 MMP2 4270/4885MMP9 4472/4885MMP14 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.