SCHEMBL16355136

SCHEMBL16355136

C=[N+](CCCC)CCCC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 5/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.32
SLC22A1 O15245 2/20 0.30
SLC22A2 O15244 1/20 0.30
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL11197352 0.97 ALDH1A1 (0.41) ALDH1A1TSHRLMNATHRBTDP1
SCHEMBL2887420 0.87 TSHR (0.50) ALDH1A1TSHRLMNATHRBSLC22A1
Hydrochloric Acid SCHEMBL11202683 0.87 ALDH1A1 (0.42) ALDH1A1TSHRLMNATHRBSLC22A1
Hydrochloric Acid SCHEMBL11108785 0.80
SCHEMBL7691696 0.77
Hydrochloric Acid SCHEMBL11195799 0.74
SCHEMBL4880978 0.71
SCHEMBL2442197 0.69 ALDH1A1 (0.47) ALDH1A1TSHRLMNATHRBTDP1
Hexane SCHEMBL10865457 0.66
Pentane SCHEMBL27527669 0.66

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-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 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-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH ALDH1A1 4268/4885TSHR 416/4885LMNA 4665/4885

“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.