SCHEMBL20225751

SCHEMBL20225751

CCCCOCCCCC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HRH3 Q9Y5N1 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.41
CES2 O00748 2/20 0.36
CES1 P23141 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
GBA1 P04062 1/20 0.34
GBA2 Q9HCG7 1/20 0.34

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
SCHEMBL16491133 0.93 HTT (0.52) TSHRHRH3MEN1THRBHTT
SCHEMBL12300027 0.93 HTT (0.52) TSHRHRH3MEN1THRBHTT
SCHEMBL10175549 0.92 TSHR (0.50) TSHRHRH3MEN1THRBHTT
SCHEMBL15182732 0.90 TSHR (0.48) TSHRHRH3MEN1THRBHTT
SCHEMBL8462300 0.89 HRH3 (0.48) TSHRHRH3MEN1THRBHTT
SCHEMBL23014750 0.88 HRH3 (0.42) TSHRHRH3MEN1THRBHTT
SCHEMBL13629121 0.88 HRH3 (0.42) TSHRHRH3MEN1THRBHTT
SCHEMBL18503170 0.88 HTT (0.52) TSHRHRH3MEN1THRBHTT
SCHEMBL18503152 0.88 HTT (0.52) TSHRHRH3MEN1THRBHTT
SCHEMBL13021299 0.88 HTT (0.52) TSHRHRH3MEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10283719-B2 Organic thin-film transistor and method for manufacturing the same, material for organic thin-film transistor, composition for organic thin-film transistor, compound, and organic semiconductor film FUJIFILM CORPORATION (JP) 2019-05-07 US disclosed
US-20180159048-A1 ORGANIC THIN-FILM TRANSISTOR AND METHOD FOR MANUFACTURING THE SAME, MATERIAL FOR ORGANIC THIN-FILM TRANSISTOR, COMPOSITION FOR ORGANIC THIN-FILM TRANSISTOR, COMPOUND, AND ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-06-07 US disclosed
US-20180159048-A1 ORGANIC THIN-FILM TRANSISTOR AND METHOD FOR MANUFACTURING THE SAME, MATERIAL FOR ORGANIC THIN-FILM TRANSISTOR, COMPOSITION FOR ORGANIC THIN-FILM TRANSISTOR, COMPOUND, AND ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-06-07 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 (2 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-20180159048-A1 ORGANIC THIN-FILM TRANSISTOR AND METHOD FOR MANUFACTURING THE SAME, MATERIAL FOR ORGANIC THIN-FILM TRANSISTOR, COMPOSITION FOR ORGANIC THIN-FILM TRANSISTOR, COMPOUND, AND ORGANIC SEMICONDUCTOR FILM SLCO2A1, SLCO4C1, SLCO2B1 TSHR 2036/4885HRH3 4539/4885MEN1 441/4885
US-10283719-B2 Organic thin-film transistor and method for manufacturing the same, material for organic thin-film transistor, composition for organic thin-film transistor, compound, and organic semiconductor film SLCO2A1, SLCO4C1, SLCO2B1 TSHR 2036/4885HRH3 4539/4885MEN1 441/4885

“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.