SCHEMBL14047282

SCHEMBL14047282

BCC(CCl)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
IDO1 P14902 1/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
AGXT P21549 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SLC6A2 P23975 4/20 0.37
SLC6A3 Q01959 4/20 0.37
SLC6A4 P31645 3/20 0.37
AOC3 Q16853 1/20 0.35
CA1 P00915 3/20 0.33

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
SCHEMBL11221440 0.88 TSHR (0.48) TSHRCHRNB2CHRNA4IDO1SLC1A3
SCHEMBL28576014 0.81 SLC1A3 (0.42) TSHRCHRNB2CHRNA4IDO1SLC1A3
SCHEMBL871423 0.81 TSHR (0.41) TSHRCHRNB2CHRNA4IDO1SLC1A3
SCHEMBL6379469 0.81 SLC1A3 (0.42) TSHRCHRNB2CHRNA4IDO1SLC1A3
SCHEMBL4007775 0.80 MAOB (0.39) TSHRCHRNB2CHRNA4IDO1SLC1A3
SCHEMBL4007778 0.80 MAOB (0.39) TSHRCHRNB2CHRNA4IDO1SLC1A3
SCHEMBL6884652 0.77 SLC1A3 (0.39) TSHRCHRNB2CHRNA4IDO1SLC1A3
SCHEMBL31697649 0.75 TSHR (0.48) TSHRCHRNB2CHRNA4IDO1SLC1A3
SCHEMBL10338112 0.74 ADRB2 (0.40) TSHRCYP2D6ALDH1A1
SCHEMBL10338108 0.74 ADRB2 (0.40) TSHRCYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269342-A1 Pleuromutilin Derivatives and Its Use GLAXO GROUP LIMITED (GB) 2008-10-30 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-20080269342-A1 Pleuromutilin Derivatives and Its Use PLEC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL17A TSHR 625/4885CHRNB2 4590/4885CHRNA4 3960/4885

“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.