SCHEMBL23178692

SCHEMBL23178692

CCOCCOCCOCCOc1ccc(C(C)C)cc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
FFAR1 O14842 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGES O14684 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NCF1 P14598 1/20 0.36
KDM1A O60341 2/20 0.35
TRPV1 Q8NER1 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL9945951 0.84 HTT (0.41) KDM4EBCHEACHEFFAR1L3MBTL1
SCHEMBL8228423 0.84 KDM1A (0.47) BCHEACHEFFAR1L3MBTL1SMN1; SMN2
SCHEMBL24935997 0.84 L3MBTL1 (0.40) KDM4EBCHEACHEFFAR1L3MBTL1
SCHEMBL11994372 0.83 FAAH (0.43) L3MBTL1HTTSMN1; SMN2TRPV1MRGPRX4
SCHEMBL12878821 0.83 EGFR (0.40) KDM4EFFAR1L3MBTL1HTTSMN1; SMN2
SCHEMBL24935379 0.81 FFAR1 (0.40) KDM4EBCHEACHEFFAR1PTGS1
SCHEMBL25063926 0.81 KDM4E (0.42) KDM4EBCHEACHEFFAR1SMN1; SMN2
SCHEMBL17811820 0.80 L3MBTL1 (0.43) KDM4EBCHEACHEL3MBTL1SMN1; SMN2
SCHEMBL20225798 0.80 THRA (0.49) L3MBTL1TRPV1MRGPRX4
SCHEMBL15000495 0.80 THRA (0.49) L3MBTL1TRPV1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210093725-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2021-04-01 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-20210093725-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF ITGAV, ITGA5, ITGB5 KDM4E 3001/4885BCHE 4817/4885ACHE 4772/4885

“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.