SCHEMBL16801034

SCHEMBL16801034

Cc1ccccc1-c1ccc2oc3ccc(-c4ccccc4C)c4cccc(c5cccc1c25)c34

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
ATM Q13315 1/20 0.39
KDM4E B2RXH2 6/20 0.39
MAPT P10636 2/20 0.39
BRD4 O60885 1/20 0.39
PABPC1 P11940 1/20 0.39
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 6/20 0.38
KCNA3 P22001 1/20 0.37
HSD17B10 Q99714 3/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL16800878 0.85 MAPT (0.44) SMN1; SMN2KDM4EMAPTPABPC1CYP2A6
SCHEMBL17242018 0.84 CYP2A6 (0.44) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL17241899 0.84 CYP2A6 (0.44) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL16639344 0.84 NPC1 (0.40) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL16801420 0.83 CYP2A6 (0.39) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL16801042 0.81 MAOA (0.46) SMN1; SMN2RAB9AATMKDM4EMAPT
SCHEMBL18159534 0.81 MAOA (0.46) SMN1; SMN2RAB9AATMKDM4EMAPT
SCHEMBL18159531 0.81 MAOA (0.46) SMN1; SMN2RAB9AATMKDM4EMAPT
SCHEMBL2182429 0.80 PABPC1 (0.56) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL18698088 0.79 ATM (0.43) SMN1; SMN2NPC1RAB9ACASP3SENP8

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 SMN1; SMN2 2926/4885NPC1 4330/4885RAB9A 1923/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 SMN1; SMN2 2926/4885NPC1 4330/4885RAB9A 1923/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 SMN1; SMN2 2926/4885NPC1 4330/4885RAB9A 1923/4885
US-20160308146-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 SMN1; SMN2 2926/4885NPC1 4330/4885RAB9A 1923/4885

“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.