SCHEMBL2734447

SCHEMBL2734447

c1cc(C(c2ccc(OCC3CS3)cc2)C(c2ccc(OCC3CS3)cc2)c2ccc(OCC3CS3)cc2)ccc1OCC1CS1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.34
MMP9 P14780 9/20 0.34
MMP14 P50281 8/20 0.34
MMP3 P08254 4/20 0.34
FFAR1 O14842 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
MMP7 P09237 3/20 0.32
MMP1 P03956 2/20 0.32
MMP8 P22894 2/20 0.32
ADAM17 P78536 1/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 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
SCHEMBL1402756 0.88 MMP2 (0.39) MMP2MMP9MMP14MMP3TDP1
SCHEMBL28476909 0.82 CYP17A1 (0.40) MMP2MMP9MMP14MMP3FFAR1
SCHEMBL1402783 0.82 FFAR4 (0.38) MMP2MMP9MMP14MMP3TDP1
SCHEMBL28405250 0.78 TDP1 (0.50) MMP2MMP9MMP14MMP3TDP1
SCHEMBL1402613 0.78 LTA4H (0.44) HPGD
SCHEMBL21409497 0.78 MMP2 (0.35) MMP2MMP9MMP14MMP3TDP1
SCHEMBL2734738 0.78 DRD2 (0.40) MMP2MMP9MMP14MMP3MAPT
SCHEMBL11849761 0.78 LTA4H (0.45) CYP1A2
SCHEMBL2734453 0.78 TDP1 (0.53) MMP2MMP9MMP14MMP3TDP1
SCHEMBL1403018 0.77 SMN1; SMN2 (0.35) MMP2MMP9MMP14MMP3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104334601-A Curing agent for anionic curable compound, curable composition, cured product, novel imidazole compound, and use thereof NIPPON SYNTHETIC CHEM IND 2015-02-04 CN disclosed
US-8431330-B2 Surface-treating agent for pattern formation and pattern-forming method using the surface-treating agent FUJIFILM CORPORATION (JP) 2013-04-30 US disclosed
US-8431330-B2 Surface-treating agent for pattern formation and pattern-forming method using the surface-treating agent FUJIFILM CORPORATION (JP) 2013-04-30 US disclosed
US-20120076991-A1 SURFACE-TREATING AGENT FOR PATTERN FORMATION AND PATTERN-FORMING METHOD USING THE SURFACE-TREATING AGENT FUJIFILM CORPORATION (JP) 2012-03-29 US disclosed
US-20120076991-A1 SURFACE-TREATING AGENT FOR PATTERN FORMATION AND PATTERN-FORMING METHOD USING THE SURFACE-TREATING AGENT FUJIFILM CORPORATION (JP) 2012-03-29 US disclosed
US-8088566-B2 Photoresists; using compound containing an orgaooxygen or organosulfur compound FUJIFILM CORPORATION (JP) 2012-01-03 US disclosed
US-8088566-B2 Photoresists; using compound containing an orgaooxygen or organosulfur compound FUJIFILM CORPORATION (JP) 2012-01-03 US disclosed
US-20080241742-A1 SURFACE-TREATING AGENT FOR PATTERN FORMATION AND PATTERN-FORMING METHOD USING THE SURFACE-TREATING AGENT FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
US-20080241742-A1 SURFACE-TREATING AGENT FOR PATTERN FORMATION AND PATTERN-FORMING METHOD USING THE SURFACE-TREATING AGENT FUJIFILM CORPORATION (JP) 2008-10-02 US 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-20080241742-A1 SURFACE-TREATING AGENT FOR PATTERN FORMATION AND PATTERN-FORMING METHOD USING THE SURFACE-TREATING AGENT KRT18, FSCN1, SLC11A2 MMP2 2960/4885MMP9 3237/4885MMP14 600/4885

“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.