SCHEMBL5998298

SCHEMBL5998298

c1ccc(C2CC2(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 18/20 0.57
MAOA P21397 16/20 0.57
MAOB P27338 16/20 0.57
CACNA1F O60840 1/20 0.50
AR P10275 1/20 0.50
PDE4A P27815 1/20 0.50
SCN1A P35498 1/20 0.50
SCN4A P35499 1/20 0.50
SCN7A Q01118 1/20 0.50
CACNA1D Q01668 1/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1S Q13698 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN5A Q14524 1/20 0.50
SCN9A Q15858 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
SCN11A Q9UI33 1/20 0.50
SCN8A Q9UQD0 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.50

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
SCHEMBL6473377 0.81 OPRM1 (0.47) KDM1AMAOAMAOB
SCHEMBL28574683 0.79 KDM1A (0.50) KDM1AMAOAMAOBRCOR1
SCHEMBL8845508 0.75 MAOB (0.45) KDM1AMAOAMAOBCACNA1FAR
Phosphine SCHEMBL28692039 0.73 MAOB (0.43) KDM1AMAOAMAOBCACNA1FAR
SCHEMBL11054309 0.73 KDM1A (0.57) KDM1AMAOAMAOB
SCHEMBL10573931 0.73 KDM1A (0.57) KDM1AMAOAMAOB
SCHEMBL10573928 0.73 KDM1A (0.57) KDM1AMAOAMAOB
SCHEMBL15767592 0.73 KDM1A (1.00) KDM1AMAOAMAOBRCOR1
SCHEMBL11788215 0.73 KDM1A (1.00) KDM1AMAOAMAOBRCOR1
SCHEMBL15777295 0.73 KDM1A (1.00) KDM1AMAOAMAOBRCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141674-B2 Anti-inflammatory compounds JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2006-11-28 US disclosed
WO-2005007659-A2 DIKETIMINATO CU(I) AND CO(I) CARBENE CATALYSTS, AND CYCLOPROPANATION METHODS USING THEM GEORGETOWN UNIVERSITY (US) 2005-01-27 WO disclosed
US-20040082601-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2004-04-29 US disclosed
US-20030171585-A1 Triphenylpropanamide compounds SCOTT MALCOLM K (US) 2003-09-11 US disclosed
US-20020103217-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2002-08-01 US disclosed
EP-0966430-B1 ANTI-INFLAMMATORY COMPOUNDS ORTHO MCNEIL PHARM INC (US) 2002-06-05 EP disclosed
US-6372779-B1 ANTHRACENE DERIVATIVES WITH CARBAMOYL GROUPS, AMIDO GROUPS, UREA GROUPS AND SULFONAMIDE GROUPS ORTHO PHARMACEUTICAL CORPORATION 2002-04-16 US disclosed
EP-0966430-A1 ANTI-INFLAMMATORY COMPOUNDS Ortho-Mcneil Pharmaceutical Corp. (US) 1999-12-29 EP disclosed
WO-1999033786-A1 ANTI-INFLAMMATORY COMPOUNDS ORTHO-MCNEIL PHARMACEUTICAL CORPORATION (US) 1999-07-08 WO disclosed
US-5176984-A With a cationic dye, photoinitiator THE MEAD CORPORATION (US) 1993-01-05 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 (3 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-20040082601-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 KDM1A 3128/4885MAOA 1918/4885MAOB 2123/4885
US-20030171585-A1 Triphenylpropanamide compounds PTGES, PTGES2, MPO KDM1A 1122/4885MAOA 1205/4885MAOB 1445/4885
US-20020103217-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 KDM1A 3128/4885MAOA 1918/4885MAOB 2123/4885

“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.