SCHEMBL7448226

SCHEMBL7448226

OCCOc1ccc(C2=NCCO2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.63
HRH3 Q9Y5N1 1/20 0.63
LTA4H P09960 1/20 0.61
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
ACKR3 P25106 1/20 0.47
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
NR1I2 O75469 1/20 0.40
GAA P10253 1/20 0.38

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
SCHEMBL9668080 0.89 HRH3 (0.68) KCNH2HRH3LTA4HHDAC3HDAC4
SCHEMBL9213571 0.86 HRH3 (0.65) KCNH2HRH3LTA4HHDAC3HDAC4
SCHEMBL31282734 0.82 KCNH2 (0.61) KCNH2HRH3LTA4HHDAC3HDAC4
SCHEMBL9217206 0.82 KCNH2 (0.61) KCNH2HRH3LTA4HHDAC3HDAC4
SCHEMBL7459026 0.82 KCNH2 (0.45) KCNH2HRH3LTA4HHDAC3HDAC4
SCHEMBL8539893 0.82 HRH3 (0.61) KCNH2HRH3LTA4HHDAC3HDAC4
SCHEMBL9862868 0.82 HRH3 (0.61) KCNH2HRH3LTA4HHDAC3HDAC4
SCHEMBL9668251 0.82 HRH3 (0.61) KCNH2HRH3LTA4HHDAC3HDAC4
SCHEMBL11782167 0.79 LTA4H (0.62) KCNH2HRH3LTA4HACKR3
SCHEMBL9219724 0.79 HRH3 (0.57) KCNH2HRH3LTA4HHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6433116-B1 None US disclosed
US-6433116-B2 CROSSLINKING; COATINGS, INKS, VARNISHES, SURFACE TREATMENT S. C. JOHNSON COMMERCIAL MARKETS, INC. 2002-08-13 US disclosed
US-20010018516-A1 Oxazoline or oxazine acetoacetate aqueous coating compositions BASF CORPORATION 2001-08-30 US disclosed
US-6235901-B1 CAN BE POLYMERIZED AND/OR COPOLYMERIZED BY CATONIC POLYMERIZATION; CAN BE CROSSLINKED AND ARE USEFUL IN COATINGS, INKS, OVERPRINT VARNISHES, AND SURFACE TREATMENT APPLICATIONS. S. C. JOHNSON COMMERCIAL MARKETS, INC. 2001-05-22 US disclosed
WO-2000068212-A1 OXAZOLINE OR OXAZINE ACETOACETATE AQUEOUS COATING COMPOSITIONS S. C. JOHNSON COMMERCIAL MARKETS, INC. (US) 2000-11-16 WO disclosed
US-6063885-A Oxazoline or oxazine methacrylate aqueous coating compositions S. C. JOHNSON COMMERCIAL MARKETS, INC. (US) 2000-05-16 US disclosed
EP-0472560-B1 CYCLIC POLYIMINOETHERS HENKEL KGAA (DE) 1996-07-10 EP disclosed
WO-1996016999-A1 OXAZOLINE-TERMINATED POLYURETHANES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-06-06 WO disclosed
US-5196544-A CYCLIC OLIGOIMINOETHERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-03-23 US disclosed
EP-0472560-A1 NEW CYCLIC POLYIMINOETHERS. HENKEL KGAA (DE) 1992-03-04 EP disclosed
WO-1990014341-A1 NEW CYCLIC POLYIMINOETHERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-11-29 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 (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-20010018516-A1 Oxazoline or oxazine acetoacetate aqueous coating compositions ITGB7, DNMT3A, KAT7 KCNH2 584/4885HRH3 249/4885LTA4H 2133/4885

“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.