SCHEMBL18159546

SCHEMBL18159546

c1cc2cccc3c4cccc5c(-c6ccc7sc8ccc(-c9ccc%10oc%11cccc%12cccc(c%13cccc9c%10%13)c%12%11)cc8c7c6)ccc(oc(c1)c23)c54

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.31
S1PR5 Q9H228 2/20 0.31
ALOX5 P09917 2/20 0.31
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL16800967 0.88 ALDH1A1 (0.38) S1PR4S1PR5ALOX5ABCG2ALDH1A1
SCHEMBL18159552 0.87 HPGD (0.39) ALOX5CASP3SENP7SENP6ABCG2
SCHEMBL16801512 0.84 MAPT (0.44) ALOX5CASP3SENP7SENP6ALDH1A1
SCHEMBL16801060 0.84 ALDH1A1 (0.36) ALOX5ABCG2ALDH1A1CYP1A2THRB
SCHEMBL24363018 0.84 CYP1A2 (0.36) S1PR4S1PR5ALOX5CASP3SENP7
SCHEMBL16801277 0.83 ALDH1A1 (0.39) ABCG2ALDH1A1CYP1A2THRBHPGD
SCHEMBL16801450 0.82 ALDH1A1 (0.38) ABCG2ALDH1A1CYP1A2THRBHPGD
SCHEMBL18159548 0.82 ALDH1A1 (0.38) ABCG2ALDH1A1CYP1A2THRBHPGD
SCHEMBL16801456 0.81 GSTP1 (0.42) ALOX5ABCG2ALDH1A1CYP1A2THRB
SCHEMBL24363013 0.81 AHR (0.33) ALOX5ALDH1A1HPGD

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 S1PR4 3941/4885S1PR5 4201/4885ALOX5 1897/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 S1PR4 3941/4885S1PR5 4201/4885ALOX5 1897/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 S1PR4 3941/4885S1PR5 4201/4885ALOX5 1897/4885
US-20160308146-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 S1PR4 3941/4885S1PR5 4201/4885ALOX5 1897/4885

“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.