SCHEMBL20643564

SCHEMBL20643564

C=C(C)C1CC=C(COC2OC(CO)C(O)C(O)C2NC(C)=O)CC1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ THRB P10828 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CD69 Q07108 1/20 0.43

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
SCHEMBL20643554 1.00 MAPK1 (0.49) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL22657931 0.87 ALDH1A1 (0.51) ALDH1A1ALOX15CYP1B1
SCHEMBL9791430 0.87 ALDH1A1 (0.51) ALDH1A1ALOX15CYP1B1
SCHEMBL20643561 0.81 POLB (0.48) MAPK1ALDH1A1KMT2AALOX15CYP1B1
SCHEMBL17761463 0.80 ALDH1A1 (0.44) ALDH1A1ALOX15CYP1B1
SCHEMBL542627 0.73 MAPK1 (0.58) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL7150940 0.73 MAPK1 (0.58) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL20643560 0.73 MAPK1 (0.58) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL21097246 0.73 MAPK1 (0.58) MAPK1ALDH1A1THRBMEN1KMT2A
SCHEMBL14544300 0.73 MAPK1 (0.58) MAPK1ALDH1A1THRBMEN1KMT2A

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-20220396823-A1 COMPOSITIONS, METHODS AND TREATMENTS FOR INHIBITING CELL ADHESION AND VIRUS BINDING AND PENETRATION TUMOREND, LLC (US) 2022-12-15 — — US disclosed
US-11203776-B2 Compositions, methods and treatments for inhibiting cell adhesion and virus binding and penetration TUMOREND, LLC (US) 2021-12-21 — — US disclosed
US-20190017095-A1 COMPOSITIONS, METHODS AND TREATMENTS FOR INHIBITING CELL ADHESION AND VIRUS BINDING AND PENETRATION TUMOREND, LLC (US) 2019-01-17 — — 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 (3 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-20220396823-A1 COMPOSITIONS, METHODS AND TREATMENTS FOR INHIBITING CELL ADHESION AND VIRUS BINDING AND PENETRATION SIGLEC7, SIGLEC9, HAVCR2 MAPK1 3021/4885ALDH1A1 1675/4885THRB 2281/4885
US-11203776-B2 Compositions, methods and treatments for inhibiting cell adhesion and virus binding and penetration SIGLEC7, SIGLEC9, HAVCR2 MAPK1 3021/4885ALDH1A1 1675/4885THRB 2281/4885
US-20190017095-A1 COMPOSITIONS, METHODS AND TREATMENTS FOR INHIBITING CELL ADHESION AND VIRUS BINDING AND PENETRATION SIGLEC7, SIGLEC9, HAVCR2 MAPK1 3021/4885ALDH1A1 1675/4885THRB 2281/4885

“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.

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