SCHEMBL2219667

SCHEMBL2219667

C=CC(=O)c1ccc(OC(C)=O)c(OC(C)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
RAB9A P51151 2/20 0.64
GAA P10253 1/20 0.64
TOP1 P11387 3/20 0.53
PTGS1 P23219 1/20 0.48
PKM P14618 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
EGFR P00533 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
JAK1 P23458 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL14903561 0.92 TSHR (0.67) TSHRKDM4EALDH1A1RAB9AGAA
SCHEMBL10767069 0.81 TSHR (0.66) TSHRKDM4EALDH1A1RAB9AGAA
SCHEMBL8679604 0.81 TSHR (0.53) TSHRKDM4EALDH1A1RAB9AGAA
SCHEMBL6550416 0.80 TSHR (0.75) TSHRKDM4EALDH1A1RAB9AGAA
SCHEMBL30307376 0.79 CYP1A2 (0.63) TSHRALDH1A1GAAMEN1CYP3A4
SCHEMBL547153 0.79 CYP1A2 (0.63) TSHRALDH1A1GAAMEN1CYP3A4
SCHEMBL30154503 0.78 TSHR (1.00) TSHRKDM4EALDH1A1RAB9AGAA
SCHEMBL640263 0.78 TSHR (1.00) TSHRKDM4EALDH1A1RAB9AGAA
SCHEMBL2219672 0.78 GAA (0.62) TSHRKDM4EALDH1A1RAB9AGAA
SCHEMBL8679606 0.78 TSHR (0.62) TSHRKDM4EALDH1A1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053594-A1 METHODS OF MAKING SELF-HEALING POLYMER AND GEL COMPOSITIONS THE UNIVERSITY OF CHICAGO (US) 2013-02-28 US disclosed
WO-2011084710-A1 METHODS OF MAKING SELF-HEALING POLYMER AND GEL COMPOSITIONS THE UNIVERSITY OF CHICAGO (US) 2011-07-14 WO disclosed
EP-0232679-B1 SYNTHETIC ORGANIC POLYMERS FOR THE SELECTIVE FLOCCULATION OF TITANIUM AND IRON ORES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1990-07-25 EP disclosed
US-4698171-A Synthetic organic polymers for the selective flocculation of titanium and iron ores CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1987-10-06 US disclosed
EP-0232679-A1 Synthetic organic polymers for the selective flocculation of titanium and iron ores CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1987-08-19 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-20130053594-A1 METHODS OF MAKING SELF-HEALING POLYMER AND GEL COMPOSITIONS PCNA, PUF60, PPIG TSHR 4860/4885KDM4E 4324/4885ALDH1A1 3132/4885

“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.