SCHEMBL6862813

SCHEMBL6862813

C=C(C)C(=O)OCC1CSC(c2cccc3ccccc23)S1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
RCE1 Q9Y256 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
SLC6A4 P31645 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL5204333 0.90 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AATMNPSR1
SCHEMBL5206209 0.87 ALDH1A1 (0.37) ALDH1A1KMT2AATM
SCHEMBL6862849 0.87 MTNR1A (0.34) MTNR1AMTNR1BPKMALDH1A1MEN1
SCHEMBL6862853 0.87 MTNR1A (0.34) MTNR1AMTNR1BPKMALDH1A1MEN1
SCHEMBL5204973 0.86 ALDH1A1 (0.38) ALDH1A1KMT2AATMCYP1A2CYP2C19
SCHEMBL5204761 0.84 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL6862292 0.83 MTNR1A (0.32) MTNR1AMTNR1BPKMMAPTNPSR1
SCHEMBL6862987 0.83 PKM (0.34) MTNR1AMTNR1BPKMALDH1A1MEN1
SCHEMBL7041104 0.81 ALDH1A1 (0.39) ALDH1A1KMT2AATMMAPTNPSR1
SCHEMBL5209148 0.80 ALDH1A1 (0.38) ALDH1A1KMT2AATMCYP2D6CYP2C19

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 MTNR1A 4185/4885MTNR1B 4452/4885PKM 2511/4885

“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.