SCHEMBL18159552

SCHEMBL18159552

c1cc2cccc3c4cccc5c(-c6ccc7oc8ccc(-c9ccc%10oc%11cccc%12cccc(c%13cccc9c%10%13)c%12%11)cc8c7c6)ccc(oc(c1)c23)c54

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5 P09917 1/20 0.37
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PLA2G2A P14555 3/20 0.35
PLA2G4A P47712 3/20 0.35
PLA2G10 O15496 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
AHR P35869 2/20 0.35
HSD17B10 Q99714 4/20 0.34

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
SCHEMBL16801512 0.97 MAPT (0.44) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL16801060 0.90 ALDH1A1 (0.36) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL16801079 0.90 MAPT (0.49) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL16801277 0.90 ALDH1A1 (0.39) HPGDALDH1A1KDM4EMAPTNPC1
SCHEMBL16801127 0.89 AHR (0.42) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL18159548 0.88 ALDH1A1 (0.38) HPGDALDH1A1KDM4EMAPTMEN1
SCHEMBL16801450 0.88 ALDH1A1 (0.38) HPGDALDH1A1KDM4EMAPTNPC1
SCHEMBL16801456 0.88 GSTP1 (0.42) HPGDALDH1A1NPC1RAB9AALOX5
SCHEMBL18159546 0.87 S1PR4 (0.31) HPGDALDH1A1ALOX5CASP3SENP7
SCHEMBL21190665 0.86 AHR (0.44) HPGDALDH1A1KDM4EMAPTMEN1

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-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

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 HPGD 907/4885ALDH1A1 1740/4885KDM4E 710/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 HPGD 907/4885ALDH1A1 1740/4885KDM4E 710/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 HPGD 907/4885ALDH1A1 1740/4885KDM4E 710/4885
US-20160308146-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 HPGD 907/4885ALDH1A1 1740/4885KDM4E 710/4885

“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.