Sugi Predict

Sugi Predict / Compounds / SCHEMBL18159581

SCHEMBL18159581

SCHEMBL18159581

c1ccc(-c2ccc3cccc4c5cccc6c(-n7c8ccccc8c8ccccc87)cc(-c7ccccc7)c(oc2c34)c65)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 3/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ CYP1A2 P05177 7/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CDC14B O60729 1/20 0.32
▸ CDC14A Q9UNH5 1/20 0.32
▸ CYP1A1 P04798 4/20 0.32
▸ CYP1B1 Q16678 3/20 0.32
▸ ADORA1 P30542 3/20 0.32
▸ ADORA3 P0DMS8 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
SCHEMBL18159580 0.91 KDM4E (0.38) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16801465 0.84 ADORA3 (0.35) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18159583 0.81 HSD17B10 (0.38) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16801111 0.81 CYP1A2 (0.41) PRKDCCYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL16800893 0.81 CYP1A2 (0.50) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28472637 0.78 CYP1A2 (0.41) CYP1A2ALDH1A1HSD17B10HPGDTHRB
SCHEMBL16801065 0.78 ALDH1A1 (0.44) CYP1A2ALDH1A1HSD17B10HPGDTHRB
SCHEMBL9920981 0.78 HSD17B10 (0.37) CYP1A2ALDH1A1HSD17B10HPGDTHRB
SCHEMBL9920744 0.78 HSD17B10 (0.37) CYP1A2ALDH1A1HSD17B10HPGDTHRB
SCHEMBL18159586 0.78 L3MBTL1 (0.45) PRKDCCYP1A2ALDH1A1HSD17B10HPGD

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 5 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

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 PRKDC 4263/4885PIK3CD 4774/4885PIK3CA 4737/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 PRKDC 4263/4885PIK3CD 4774/4885PIK3CA 4737/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 PRKDC 4263/4885PIK3CD 4774/4885PIK3CA 4737/4885
US-20160308146-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 PRKDC 4263/4885PIK3CD 4774/4885PIK3CA 4737/4885

“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.