SCHEMBL30863928

SCHEMBL30863928

CC(C)n1nccc(OCc2ccc(COCCO)cc2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.37
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C8 P10632 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ S1PR1 P21453 5/20 0.32
▸ GRM2 Q14416 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MAPK14 Q16539 2/20 0.31
▸ BPTF Q12830 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ GCK P35557 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ PPIA P62937 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15564823 0.82 BPTF (0.42) NR4A2NPC1RAB9AMAPK14BPTF
SCHEMBL15566104 0.73 BPTF (0.45) MAPK14BPTFEGLN1MAOB
SCHEMBL16901937 0.71 BPTF (0.43) RAB9AMAPK14BPTFEGLN1ALDH1A1
SCHEMBL2318036 0.71 HTT (0.35) NR4A2CYP1A2CYP2C19CYP2C9NPC1
SCHEMBL15565769 0.69 BPTF (0.46) NPC1RAB9AMAPK14BPTF
SCHEMBL27446339 0.69 ALDH1A1 (0.36) CYP1A2CYP2C19NPC1RAB9AALDH1A1
SCHEMBL15566044 0.69 NPC1 (0.37) NR4A2CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL1629038 0.68 SMN1; SMN2 (0.45) NR4A2CYP1A2CYP2C19CYP3A4CYP2C9
SCHEMBL13602773 0.66 TSHR (0.47) CYP3A4RECQLS1PR1MAPK1ALDH1A1
SCHEMBL18672242 0.66 NR2E3 (0.35) NR4A2GRM2MAPK14ALDH1A1MAPT

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-20240100199-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2024-03-28 — — 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-20240100199-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 NR4A2 4513/4885CYP1A2 1307/4885CYP2C19 2131/4885

“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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