SCHEMBL17397647

SCHEMBL17397647

COc1cccc(CC(CCCC(N)=O)C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
FOLH1 Q04609 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 1/20 0.44
EPHX2 P34913 2/20 0.43
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.43
PARP1 P09874 1/20 0.43
CYP1A2 P05177 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
SCHEMBL28845106 0.87 EPHX2 (0.53) TAAR1FOLH1EPHX2
SCHEMBL934605 0.86 TAAR1 (0.55) TAAR1FOLH1EPHX2IDO1AGXT
SCHEMBL3749792 0.86 FOLH1 (0.59) FOLH1CYP1A2
SCHEMBL21715226 0.83 LDHA (0.51) CYP1A2
SCHEMBL28504888 0.80 EPHX2 (0.59) EPHX2
SCHEMBL17397495 0.80 LDHA (0.50) L3MBTL1CYP1A2
SCHEMBL934349 0.79 HDAC1 (0.63) TAAR1HDAC1HDAC6MTNR1AMTNR1B
SCHEMBL17397499 0.78 LDHA (0.49) CYP1A2
SCHEMBL27703736 0.78 FOLH1 (0.54) FOLH1HDAC1HDAC6CYP1A2
SCHEMBL934347 0.77 TAAR1 (0.66) TAAR1L3MBTL1IDO1AGXTPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372253-A1 NOVEL LIPID-BASED SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS CARRIER COMPOSITIONS, INTEGRIN AGONIST ADJUVANT PHARMACEUTICAL COMPOSITIONS THEREFROM, AND METHODS FOR MAKING AND USING SAME 7 Hills Pharma LLC (US) 2023-11-23 US disclosed
WO-2023215314-A1 NOVEL LIPID-BASED SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS CARRIER COMPOSITIONS, INTEGRIN AGONIST ADJUVANT PHARMACEUTICAL COMPOSITIONS THEREFROM, AND METHODS FOR MAKING AND USING SAME 7 Hills Pharma LLC (US) 2023-11-09 WO disclosed
CN-107820429-B Novel compositions and methods for immunotherapy comprising small molecule integrin receptor-ligand agonist adjuvants 7山药物有限责任公司 2022-08-16 CN disclosed
US-20210145796-A1 METHODS FOR ADMINISTERING COMPOSITIONS INCLUDING INTEGRIN AGONISTS HAVING ANTI-TUMOR ACTIVITY 7 HILLS PHARMA INC. 2021-05-20 US disclosed
EP-3164127-A1 COMPOSITIONS AND METHODS TO IMPROVE ADOPTIVE CELL THERAPIES 7 HILLS INTERESTS, LLC (US) 2017-05-10 EP disclosed
WO-2016003980-A1 COMPOSITIONS AND METHODS TO IMPROVE ADOPTIVE CELL THERAPIES 7 HILLS INTERESTS LLC (US) 2016-01-07 WO 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 (2 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-20210145796-A1 METHODS FOR ADMINISTERING COMPOSITIONS INCLUDING INTEGRIN AGONISTS HAVING ANTI-TUMOR ACTIVITY ITGB7, ITGA1, ITGAL TAAR1 1330/4885FOLH1 1873/4885L3MBTL1 933/4885
US-20230372253-A1 NOVEL LIPID-BASED SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS CARRIER COMPOSITIONS, INTEGRIN AGONIST ADJUVANT PHARMACEUTICAL COMPOSITIONS THEREFROM, AND METHODS FOR MAKING AND USING SAME ITGAM, ITGA2, ADGRF1 TAAR1 1265/4885FOLH1 3282/4885L3MBTL1 3898/4885

“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.