SCHEMBL6749903

SCHEMBL6749903

O=C1COC[C@H]([C@H](O)c2ccccc2)N1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.37
GBA1 P04062 1/20 0.36
HSD17B2 P37059 1/20 0.35
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NR3C1 P04150 1/20 0.31
MGLL Q99685 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ADRB3 P13945 2/20 0.30
ADRB2 P07550 1/20 0.30
KCNH2 Q12809 1/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL6668003 1.00 EPHX1 (0.37) EPHX1GBA1HSD17B2LMNAMAPK1
SCHEMBL6667996 1.00 EPHX1 (0.37) EPHX1GBA1HSD17B2LMNAMAPK1
SCHEMBL11549245 0.78 EPHX1 (0.39) EPHX1GBA1HSD17B2LMNAMAPK1
SCHEMBL8882442 0.78 EPHX1 (0.39) EPHX1GBA1HSD17B2LMNAMAPK1
SCHEMBL8882439 0.78 EPHX1 (0.39) EPHX1GBA1HSD17B2LMNAMAPK1
Hydrochloric Acid SCHEMBL6666144 0.70 EPHX1 (0.38) EPHX1GBA1LMNAMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL6666146 0.70 EPHX1 (0.38) EPHX1GBA1LMNAMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL6683095 0.70 EPHX1 (0.38) EPHX1GBA1LMNAMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL6671575 0.70 EPHX1 (0.38) EPHX1GBA1LMNAMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL6671579 0.70 EPHX1 (0.38) EPHX1GBA1LMNAMAPK1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831081-B2 Herpes virus including simplex types 1 and 2, varicella zoster, human cytomegalovirus, Epstein-Barr and human 6, 7 and 8 PHARMACIA & UPJOHN 2004-12-14 US disclosed
US-20040110786-A1 4-Oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2004-06-10 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 (1 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-20040110786-A1 4-Oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, MAVS EPHX1 2705/4885GBA1 891/4885HSD17B2 4263/4885

“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.