SCHEMBL26435289

SCHEMBL26435289

O=C(O)CCCCCOCCOCCOCCCCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.63
LMNA P02545 3/20 0.63
NFKB1 P19838 1/20 0.63
PMP22 Q01453 1/20 0.63
ALDH1A1 P00352 4/20 0.62
GPR84 Q9NQS5 8/20 0.52
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 2/20 0.52
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
FABP4 P15090 2/20 0.50
ALOX15 P16050 2/20 0.50
PTPN1 P18031 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL6900636 0.97 TSHR (0.67) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL6901628 0.97 TSHR (0.67) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL6367297 0.97 TSHR (0.67) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL6899202 0.97 TSHR (0.67) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL7748806 0.97 TSHR (0.67) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL6900744 0.97 TSHR (0.67) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL9661395 0.97 TSHR (0.67) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL6902041 0.97 TSHR (0.67) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL21357404 0.97 TSHR (0.67) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL6901617 0.97 TSHR (0.67) TSHRLMNANFKB1PMP22ALDH1A1

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
CN-110240629-B Protein degradation targeting BCR-ABL compound and antitumor application thereof 上海科技大学 2023-10-03 CN disclosed
US-11639343-B2 Compounds targeting and degrading BCR-ABL protein and its antitumor application SHANGHAITECH UNIVERSITY (CN) 2023-05-02 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-11639343-B2 Compounds targeting and degrading BCR-ABL protein and its antitumor application CRBN, VHL, CBL TSHR 4223/4885LMNA 2945/4885NFKB1 1025/4885

“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.