SCHEMBL9923562

SCHEMBL9923562

CCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.36
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2B P18089 1/20 0.36
OPRD1 P41143 1/20 0.36
SCN5A Q14524 1/20 0.36
THRB P10828 2/20 0.35
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CA2 P00918 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
SCHEMBL117007 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL15944221 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL12126262 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL11891444 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL10350230 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL4544615 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL859453 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL12535669 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL15944220 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL11891414 1.00 TSHR (0.36) TSHRALDH1A1ABCB11CYP3A4ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180175300-A1 ORGANIC THIN FILM TRANSISTOR, METHOD OF MANUFACTURING ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC SEMICONDUCTOR FILM, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-06-21 US disclosed
US-20120146264-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND PROCESS FOR PRODUCING SAME, AND PROCESS FOR MAKING RELIEF PRINTING PLATE FUJIFILM CORPORATION (JP) 2012-06-14 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-20120146264-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND PROCESS FOR PRODUCING SAME, AND PROCESS FOR MAKING RELIEF PRINTING PLATE EIF3L, EIF2B1, EIF2B5 TSHR 4790/4885ALDH1A1 1302/4885ABCB11 4875/4885

“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.