SCHEMBL6174065

SCHEMBL6174065

COC(=O)C(CCCc1ccccc1)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.43
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7633465 0.95 FAAH (0.47) CYP2D6CYP2C9CYP2C19KMT2ALMNA
SCHEMBL10943747 0.94 FAAH (0.49) KMT2AHDAC1HDAC2ALDH1A1HPGD
SCHEMBL10946578 0.94 FAAH (0.49) KMT2AHDAC1HDAC2ALDH1A1HPGD
SCHEMBL7634877 0.94 FAAH (0.49) KMT2AHDAC1HDAC2ALDH1A1HPGD
SCHEMBL10947084 0.94 FAAH (0.49) KMT2AHDAC1HDAC2ALDH1A1HPGD
SCHEMBL7638044 0.94 FAAH (0.49) KMT2AHDAC1HDAC2ALDH1A1HPGD
SCHEMBL11206513 0.92 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19KMT2ALMNA
SCHEMBL7061793 0.90 TSHR (0.49) CYP2C19KMT2ASMN1; SMN2MMP8ALDH1A1
SCHEMBL5846343 0.87 HDAC3 (0.52) CYP2D6CYP2C9CYP2C19KMT2ALMNA
SCHEMBL7636121 0.86 ALDH1A1 (0.53) KMT2ALMNASMN1; SMN2HDAC3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347978-B1 NOVEL SUBSTITUTED IMIDAZOTRIAZINONES AS PDE II-INHIBITORS BAYER HEALTHCARE AG (DE) 2005-08-31 EP disclosed
EP-1203770-B1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases UPJOHN CO (US) 2005-03-09 EP disclosed
EP-1347978-A1 NOVEL SUBSTITUTED IMIDAZOTRIAZINONES AS PDE II-INHIBITORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-6573263-B2 For improving perception, concentration power, learning power and/ or memory power BAYER AKTIENGESELLSCHAFT (DE) 2003-06-03 US disclosed
US-20020198377-A1 Substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2002-12-26 US disclosed
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 EP disclosed
WO-2002050078-A1 NOVEL SUBSTITUTED IMIDAZOTRIAZINONES AS PDE II-INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2002-06-27 WO disclosed
EP-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 EP disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP disclosed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 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-20020198377-A1 Substituted imidazotriazinones CAMK4, ITPR1, KCNJ5 CYP2D6 1472/4885CYP2C9 3645/4885CYP2C19 1679/4885

“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.