SCHEMBL14645902

SCHEMBL14645902

C=CC(N)OC(=O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
BLM P54132 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6899227 0.79 GABRP (0.30)
SCHEMBL10585151 0.77
SCHEMBL964294 0.76
SCHEMBL1631488 0.76 TSHR (0.37) TSHR
SCHEMBL13592944 0.76 TSHR (0.37) TSHR
SCHEMBL15902549 0.76 TSHR (0.37) TSHR
SCHEMBL156789 0.75 TSHR (0.34) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL11053453 0.74 TSHR (0.35) TSHR
SCHEMBL237880 0.73
SCHEMBL1489814 0.73

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-20140141978-A1 WATER MISCIBLE MICROEMULSIONS OF WATER INSOLUBLE FILM FORMING POLYMERS ISP Investmentts Inc. (US) 2014-05-22 US claimed
WO-2013009734-A2 WATER MISCIBLE MICROEMULSIONS OF WATER INSOLUBLE FILM FORMING POLYMERS ISP INVESTMENTS INC. (US) 2013-01-17 WO claimed
US-20140141978-A1 WATER MISCIBLE MICROEMULSIONS OF WATER INSOLUBLE FILM FORMING POLYMERS ISP Investmentts Inc. (US) 2014-05-22 US disclosed
WO-2013009734-A2 WATER MISCIBLE MICROEMULSIONS OF WATER INSOLUBLE FILM FORMING POLYMERS ISP INVESTMENTS INC. (US) 2013-01-17 WO 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-20140141978-A1 WATER MISCIBLE MICROEMULSIONS OF WATER INSOLUBLE FILM FORMING POLYMERS MYB, ERG28, POLR1C TSHR 4634/4885SLC6A2 3913/4885SLC6A4 3639/4885

“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.