SCHEMBL4228975

SCHEMBL4228975

C=CCCCCCCCCC(N)CCCCCCCCC=C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.39
ABCC4 O15439 1/20 0.39
ALDH1A1 P00352 4/20 0.39
USP2 O75604 2/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPA1 O75762 1/20 0.37
S1PR2 O95136 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR4 O95977 4/20 0.36
LMNA P02545 1/20 0.34
LPAR3 Q9UBY5 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
SCHEMBL1240084 0.97 TSHR (0.42) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL3996665 0.92 TSHR (0.39) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL3241664 0.91 TSHR (0.39) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL3242623 0.91 TSHR (0.39) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL3232533 0.91 TSHR (0.39) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL1242583 0.89 TSHR (0.41) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL9979412 0.89 TSHR (0.67) TSHRALDH1A1S1PR2S1PR1S1PR3
SCHEMBL3666728 0.89 TSHR (0.54) TSHRMAPTABCC4ALDH1A1USP2
SCHEMBL31035758 0.89 TSHR (0.67) TSHRALDH1A1S1PR2S1PR1S1PR3
SCHEMBL8430095 0.89 TSHR (0.67) TSHRALDH1A1S1PR2S1PR1S1PR3

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
WO-2023145372-A1 METHOD FOR PRODUCING AMIDE COMPOUND 日本曹達株式会社 2023-08-03 WO disclosed
US-9201010-B2 Fluorescent organic nanoparticles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-12-01 US disclosed
US-20090272913-A1 FLUORESCENT ORGANIC NANOPARTICLES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-11-05 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-20090272913-A1 FLUORESCENT ORGANIC NANOPARTICLES LIPA, HCN1, PORCN TSHR 1966/4885MAPT 407/4885ABCC4 3031/4885

“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.