SCHEMBL16801004

SCHEMBL16801004

c1cc2cccc3c4cccc5c4c(cc4sc6ccccc6c45)oc(c1)c23

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ HPGD P15428 4/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ MAOA P21397 4/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ PTPN1 P18031 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GAA P10253 2/20 0.32

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
SCHEMBL16801189 0.85 MAOA (0.39) GPR3ALDH1A1HPGDHSD17B10MAOA
SCHEMBL17368262 0.84 GPR3 (0.37) GPR3ALDH1A1HPGDHSD17B10MAOA
SCHEMBL18159557 0.79 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL16800967 0.75 ALDH1A1 (0.38) GPR3ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL17368264 0.75 GPR3 (0.52) GPR3ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL16801447 0.74 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL17932082 0.73 PTPN1 (0.33) GPR3ALDH1A1HPGDHSD17B10ELANE
SCHEMBL18159546 0.72 S1PR4 (0.31) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL25850426 0.72 BRDT (0.37) GPR3ALDH1A1HPGDHSD17B10ELANE
SCHEMBL13935962 0.72 GPR3 (0.45) GPR3ALDH1A1HPGDHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917913-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2024-02-27 — — US disclosed
US-11917913-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2024-02-27 — — US disclosed
US-20190280218-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2019-09-12 — — US disclosed
US-10374170-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2019-08-06 — — US disclosed
US-20160308146-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2016-10-20 — — US disclosed
US-20160308146-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2016-10-20 — — US disclosed
WO-2015082046-A2 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2015-06-11 — — 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 (4 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-11917913-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 GPR3 1511/4885ALDH1A1 1740/4885HPGD 907/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 GPR3 1511/4885ALDH1A1 1740/4885HPGD 907/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 GPR3 1511/4885ALDH1A1 1740/4885HPGD 907/4885
US-20160308146-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 GPR3 1511/4885ALDH1A1 1740/4885HPGD 907/4885

“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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