SCHEMBL10216083

SCHEMBL10216083

OBOc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.66
▸ CYP2C19 P33261 2/20 0.66
▸ LMNA P02545 1/20 0.66
▸ PTGS1 P23219 1/20 0.66
▸ SLC6A2 P23975 1/20 0.66
▸ PTGS2 P35354 1/20 0.66
▸ SLC6A3 Q01959 1/20 0.66
▸ HIF1A Q16665 1/20 0.66
▸ HDAC6 Q9UBN7 1/20 0.66
▸ MAOB P27338 4/20 0.58
▸ GAA P10253 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ MAOA P21397 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ NR4A1 P22736 1/20 0.58
▸ NR4A2 P43354 1/20 0.58
▸ NR4A3 Q92570 1/20 0.58
▸ BCHE P06276 1/20 0.55

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
SCHEMBL306550 0.84 LMNA (0.64) CYP1A2CYP2C19LMNAPTGS1SLC6A2
SCHEMBL15425251 0.84 CYP4F2 (0.63) CYP1A2CYP2C19LMNAPTGS1SLC6A2
Benzylphenylether SCHEMBL22314 0.84 LMNA (0.69) CYP1A2CYP2C19LMNAPTGS1SLC6A2
SCHEMBL339813 0.83 LMNA (0.82) CYP1A2CYP2C19LMNAPTGS1SLC6A2
SCHEMBL20610916 0.81 CYP1A2 (0.66) CYP1A2CYP2C19LMNAPTGS1SLC6A2
Monobenzone SCHEMBL1903511 0.79 LMNA (1.00) CYP1A2CYP2C19LMNAPTGS1SLC6A2
Monobenzone SCHEMBL35631 0.79 LMNA (1.00) CYP1A2CYP2C19LMNAPTGS1SLC6A2
Monobenzone SCHEMBL11272996 0.79 LMNA (1.00) CYP1A2CYP2C19LMNAPTGS1SLC6A2
Monobenzone SCHEMBL8450838 0.79 LMNA (1.00) CYP1A2CYP2C19LMNAPTGS1SLC6A2
SCHEMBL10609652 0.79 LMNA (0.75) CYP1A2CYP2C19LMNAPTGS1SLC6A2

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-20180064819-A1 Targeting Ligands SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2018-03-08 — — US disclosed
US-8569331-B2 Substituted benzo[f]lmidazo[1,2-d]pyrido[2,3-b][1,4]diazepine compounds ARQULE, INC. (US) 2013-10-29 — — US disclosed
US-20120108574-A1 Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds ARQULE, INC. (US) 2012-05-03 — — 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 (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-20180064819-A1 Targeting Ligands FABP1, SNRPE, HAVCR2 CYP1A2 4635/4885CYP2C19 4861/4885LMNA 2043/4885
US-20120108574-A1 Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds BRD4, BRPF3, BRD3 CYP1A2 691/4885CYP2C19 617/4885LMNA 1406/4885

“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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