Sugi Predict

Sugi Predict / Compounds / SCHEMBL18159530

SCHEMBL18159530

SCHEMBL18159530

c1ccc2c(-c3ccc(-c4ccc5oc6ccc(-c7ccc(-c8cccc9ccccc89)cc7)c7cccc(c8cccc4c58)c67)cc3)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 1/20 0.46
▸ ENPP1 P22413 1/20 0.46
▸ CA12 O43570 3/20 0.46
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PPARG P37231 5/20 0.40
▸ PPARA Q07869 5/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40

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
SCHEMBL16801270 0.95 ENPP3 (0.43) ENPP3ENPP1CA12CA1CA2
SCHEMBL16801269 0.93 ALDH1A1 (0.44) ENPP3ENPP1CA12CA1CA2
SCHEMBL16801042 0.91 MAOA (0.46) ALDH1A1HSD17B10MAPTHPGDMEN1
SCHEMBL18159534 0.91 MAOA (0.46) ALDH1A1HSD17B10MAPTHPGDMEN1
SCHEMBL18159531 0.91 MAOA (0.46) ALDH1A1HSD17B10MAPTHPGDMEN1
SCHEMBL16801277 0.87 ALDH1A1 (0.39) ENPP3ENPP1CA12CA1CA2
SCHEMBL18159553 0.87 PLA2G2A (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL16801450 0.86 ALDH1A1 (0.38) ENPP3ENPP1CA12CA1CA2
SCHEMBL16801316 0.86 MAOA (0.43) ALDH1A1HSD17B10MAPTHPGDMEN1
SCHEMBL16801040 0.85 PARP1 (0.38) CA12CA1CA2CA9ALDH1A1

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 ENPP3 1259/4885ENPP1 2815/4885CA12 1863/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 ENPP3 1259/4885ENPP1 2815/4885CA12 1863/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 ENPP3 1259/4885ENPP1 2815/4885CA12 1863/4885
US-20160308146-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 ENPP3 1259/4885ENPP1 2815/4885CA12 1863/4885

“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.