SCHEMBL3754665

SCHEMBL3754665

C=CCc1cccc2c1C(=O)OC2(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
ESR1 P03372 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ESR2 Q92731 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
DHFR P00374 3/20 0.51
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49

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
SCHEMBL3801871 0.83 FTO (0.55) TYMSMEN1LMNAKMT2AALDH1A1
SCHEMBL4019632 0.82 MMP2 (0.53) TYMSMEN1LMNAKMT2AALDH1A1
SCHEMBL8648720 0.80 TYMS (0.47) TYMSMEN1LMNAKMT2AALDH1A1
SCHEMBL11060938 0.78 MEN1 (0.37) TYMSMEN1LMNAKMT2AALDH1A1
SCHEMBL3378483 0.78 TYMS (0.61) TYMSMEN1LMNAKMT2AALDH1A1
SCHEMBL5931812 0.76 TYMS (0.55) TYMSMEN1LMNAKMT2AALDH1A1
SCHEMBL11443116 0.76 TYMS (0.58) TYMSMEN1LMNAKMT2AALDH1A1
SCHEMBL1648480 0.76 TYMS (0.58) TYMSMEN1LMNAKMT2AALDH1A1
SCHEMBL9258357 0.76 TYMS (0.58) TYMSMEN1LMNAKMT2AALDH1A1
SCHEMBL11680670 0.75 TYMS (0.45) TYMSMEN1LMNAKMT2AALDH1A1

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
WO-2008073298-A2 MIXTURES OF AROMATIC ESTERS FOR MARKING OR TAGGING ORGANIC PRODUCTS, MARKER COMPOSITIONS COMPRISING THE SAME AND MANUFACTURING METHODS THEREOF UNITED COLOR MANUFACTURING, INC. (US) 2008-06-19 WO claimed
US-20080139646-A1 Mixtures of aromatic esters for marking or tagging organic products, marker compositions comprising the same and manufacturing methods thereof UNITED COLOR MANUFACTURING, INC. 2008-06-12 US claimed
JP-53058534-A None JP disclosed
US-7825159-B2 Mixtures of aromatic esters for marking or tagging organic products, marker compositions comprising the same and manufacturing methods thereof UNITED COLOR MANUFACTURING, INC. (US) 2010-11-02 US disclosed
WO-2008073298-A2 MIXTURES OF AROMATIC ESTERS FOR MARKING OR TAGGING ORGANIC PRODUCTS, MARKER COMPOSITIONS COMPRISING THE SAME AND MANUFACTURING METHODS THEREOF UNITED COLOR MANUFACTURING, INC. (US) 2008-06-19 WO disclosed
US-20080139646-A1 Mixtures of aromatic esters for marking or tagging organic products, marker compositions comprising the same and manufacturing methods thereof UNITED COLOR MANUFACTURING, INC. 2008-06-12 US disclosed
JP-S5358534-A HALOGENATED ALKYLPHENOLPHTAHALEIN AND ITS PREPARATION DAINICHI SEIKA KOGYO KK 1978-05-26 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-20080139646-A1 Mixtures of aromatic esters for marking or tagging organic products, marker compositions comprising the same and manufacturing methods thereof PAH, TH, CYP1A1 TYMS 4376/4885MEN1 3972/4885LMNA 1823/4885

“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.