SCHEMBL7563889

SCHEMBL7563889

C=CC(=O)OCCSCCSCCOC(=O)C=C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.58
ALDH1A1 P00352 4/20 0.58
TP53 P04637 3/20 0.58
HIF1A Q16665 3/20 0.58
CYP3A4 P08684 2/20 0.58
HSD17B10 Q99714 1/20 0.58
HPGD P15428 1/20 0.52
THRB P10828 2/20 0.43
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.31

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
SCHEMBL673220 1.00 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL672840 1.00 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL672392 0.98 TSHR (0.60) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10426942 0.91 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10427255 0.91 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10427197 0.91 TSHR (0.65) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21385195 0.90 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11647433 0.90 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29940620 0.90 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10150608 0.88 TSHR (0.60) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194511-B1 COMPRISING POLYMERIZABLE MONOMER CONTAINING SULFUR-CONTAINING (METH)ACRYLATE POLYMERIZABLE MONOMER AND PHOTOCHROMIC COMPOUND TOKUYAMA CORPORATION (JP) 2001-02-27 US claimed
JP-1128966-A None JP disclosed
WO-2024147426-A1 CURABLE COMPOSITION, CURED FILM PRODUCED USING COMPOSITION, COLOR FILTER INCLUDING CURED FILM AND DISPLAY DEVICE INCLUDING COLOR FILTER 삼성에스디아이 주식회사 2024-07-11 WO disclosed
US-20220411654-A1 Radiation Curable Inkjet Ink for Manufacturing Printed Circuit Boards AGFA-GEVAERT NV (BE) 2022-12-29 US disclosed
US-20210002500-A1 INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA-GEVAERT NV (BE) 2021-01-07 US disclosed
EP-0940694-B1 Photochromic curable composition TOKUYAMA CORP (JP) 2002-08-14 EP disclosed
US-6369269-B2 Thiol and sulfur-containing O-(meth)acrylate compounds and use thereof MITSUI CHEMICALS, INC. (JP) 2002-04-09 US disclosed
US-6265510-B1 OPTICS; LENSES MITSUI CHEMICALS, INC. (JP) 2001-07-24 US disclosed
US-6194511-B1 COMPRISING POLYMERIZABLE MONOMER CONTAINING SULFUR-CONTAINING (METH)ACRYLATE POLYMERIZABLE MONOMER AND PHOTOCHROMIC COMPOUND TOKUYAMA CORPORATION (JP) 2001-02-27 US disclosed
US-6114485-A STARTING MATERIAL FOR A RESIN COMPOSITION USED IN OPTICAL APPLICATIONS SUCH AS A LENS MITSUI CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0940694-A1 Photochromic curable composition TOKUYAMA CORPORATION (JP) 1999-09-08 EP disclosed
US-5916987-A OPTICAL RESIN; LENSES MITSUI CHEMICALS, INC. (JP) 1999-06-29 US disclosed
US-4939218-A Sulfur-containing aliphatic acrylic compound, crosslinked polymer article, and lens MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1990-07-03 US disclosed
JP-H01128966-A SULFUR-CONTAINING ALIPHATIC ACRYLIC COMPOUND MITSUBISHI GAS CHEM CO INC 1989-05-22 JP 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-20210002500-A1 INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS ITGB3, RCOR3, RBCK1 TSHR 3898/4885ALDH1A1 1196/4885TP53 2692/4885

“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.