SCHEMBL6862831

SCHEMBL6862831

OCC1CSC(c2cccc3ccccc23)S1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
SLC6A4 P31645 7/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 1/20 0.35
DRD2 P14416 1/20 0.35
IDO1 P14902 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL6856685 0.86 KDM1A (0.36) KDM1ASLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL6856688 0.86 KDM1A (0.36) KDM1ASLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL5213356 0.85 ALDH1A1 (0.30) MAPT
SCHEMBL6860867 0.85 KDM1A (0.39) KDM1ASLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL5207532 0.83 HTR2C (0.30)
SCHEMBL6856078 0.80 SLC6A4 (0.36) KDM1ASLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL6863285 0.80 SLC6A4 (0.33) KDM1ASLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL6863278 0.80 SLC6A4 (0.33) KDM1ASLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL11795447 0.80 MEN1 (0.43) MAPT
SCHEMBL5205512 0.77 HTR1A (0.36) KDM1ASLC6A4SLC6A2SLC6A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100344623-C Acrylic esters compound and use thereof MITSUI CHEMCIALS INC (JP) 2007-10-24 CN disclosed
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
CN-1462272-A Acrylate compound and use thereof MITSUI CHEMCIALS INC (JP) 2003-12-17 CN disclosed
US-20020061995-A1 Acrylic ester compound and usage thereof MITSUI CHEMICALS, INC. (JP) 2002-05-23 US disclosed
CN-1346829-A Acrylate compounds and use MITSUI CHEMICALS INC (JP) 2002-05-01 CN 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 KDM1A 205/4885SLC6A4 4613/4885SLC6A2 4808/4885

“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.