SCHEMBL18159595

SCHEMBL18159595

c1ccc2c(c1)-c1cc3ccccc3cc1Oc1cc3ccccc3cc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
TSHR P16473 3/20 0.46
HPGD P15428 3/20 0.46
CASP1 P29466 3/20 0.46
HIF1A Q16665 3/20 0.46
TP53 P04637 2/20 0.46
CASP7 P55210 2/20 0.46
ATM Q13315 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TYMS P04818 2/20 0.35

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
SCHEMBL24039793 0.93 MAPK1 (0.55) MAPK1ALDH1A1HSD17B10TSHRHPGD
SCHEMBL25937365 0.84 AHR (0.50) MAPK1ALDH1A1HSD17B10TSHRHPGD
SCHEMBL13309031 0.83 MAPK1 (0.71) MAPK1ALDH1A1HSD17B10TSHRHPGD
SCHEMBL12172734 0.82 MAPK1 (0.48) MAPK1ALDH1A1HSD17B10TSHRHPGD
SCHEMBL16779994 0.81 AHR (0.46) MAPK1ALDH1A1HSD17B10ATMKDM4E
SCHEMBL903605 0.81 AHR (0.46) MAPK1ALDH1A1HSD17B10ATMKDM4E
SCHEMBL9039265 0.78 ALDH1A1 (0.68) MAPK1ALDH1A1HSD17B10TSHRHPGD
SCHEMBL25940827 0.78 CYP1A2 (0.47) MAPK1HSD17B10TSHRHPGDHIF1A
SCHEMBL8681096 0.76 MAPK1 (0.43) MAPK1ALDH1A1HSD17B10TSHRHPGD
SCHEMBL14458072 0.76 AHR (0.54) MAPK1ATMKDM4EPOLBCASP6

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 MAPK1 3381/4885ALDH1A1 1740/4885HSD17B10 4302/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 MAPK1 3381/4885ALDH1A1 1740/4885HSD17B10 4302/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 MAPK1 3381/4885ALDH1A1 1740/4885HSD17B10 4302/4885
US-20160308146-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 MAPK1 3381/4885ALDH1A1 1740/4885HSD17B10 4302/4885

“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.