SCHEMBL911100

SCHEMBL911100

COc1ccc(C[C]=O)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.61
ATM Q13315 2/20 0.58
KDM4E B2RXH2 1/20 0.58
STAT3 P40763 1/20 0.54
ALDH1A1 P00352 3/20 0.52
PPARG P37231 1/20 0.52
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
LDHA P00338 1/20 0.51
POLB P06746 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
HSP90AA1 P07900 1/20 0.47
AOC3 Q16853 1/20 0.47
TSHR P16473 1/20 0.47
CA12 O43570 1/20 0.46

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
SCHEMBL11783287 0.88 L3MBTL1 (0.50) CA2ATMKDM4ESTAT3ALDH1A1
SCHEMBL9165578 0.85 CRHBP (0.46) CA2ATMKDM4ESTAT3ALDH1A1
SCHEMBL11579051 0.83 KMT2A (0.51) CA2ATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL28122001 0.83 MAPT (0.50) KDM4EALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL910732 0.83 CYP1A2 (0.62) ALDH1A1CYP19A1CYP1A2CYP3A4TSHR
SCHEMBL910751 0.83 TAAR1 (0.64) ALDH1A1CYP3A4TSHRLMNA
SCHEMBL11703284 0.83 ALDH1A1 (0.44) CA2ATMKDM4ESTAT3ALDH1A1
SCHEMBL11491641 0.82 CA2 (0.63) CA2ATMKDM4ESTAT3ALDH1A1
SCHEMBL8067615 0.81 PDE4B (0.56) KDM4EALDH1A1CYP1A2CYP3A4BLM
SCHEMBL910622 0.81 STAT3 (0.60) CA2ATMKDM4ESTAT3ALDH1A1

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 187 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198295-B2 Benzonaphthyridines NYCOMED GMBH (DE) 2012-06-12 US claimed
US-20090030029-A1 Novel benzonaphthyridines ALTANA PHARMA AG (DE) 2009-01-29 US claimed
US-7470704-B2 Benzonaphthyridines NYCOMED GMBH (DE) 2008-12-30 US claimed
EP-1537109-B1 NOVEL BENZONAPHTHYRIDINES ALTANA PHARMA AG (DE) 2007-04-18 EP claimed
US-20060167034-A1 Novel benzonaphthyridines ALTANA PHARMA AG (DE) 2006-07-27 US claimed
EP-1537109-A1 NOVEL BENZONAPHTHYRIDINES ALTANA Pharma AG (DE) 2005-06-08 EP claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
WO-2004022557-A1 NOVEL BENZONAPHTHYRIDINES ALTANA PHARMA AG (DE) 2004-03-18 WO claimed
US-6388081-B1 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries LION BIOSCIENCE AG (DE) 2002-05-14 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 EP claimed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 US claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES 1998-05-22 WO claimed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO claimed
US-4661512-A Adamantanamine derivatives, processes for their preparation and drugs in which they are present S. A. PANMEDICA (FR) 1987-04-28 US claimed
US-4010193-A (ALKYLAMINO)ALKYL SUBSTITUTED BENZOATES, LOCAL ANESTHETIC, ANTIFIBRILLATORY, ANTIARRHYTHMIAL CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA RT (HU) 1977-03-01 US claimed
US-3954774-A HYPOTENSIVE AGENTS MARION LABORATORIES, INC. (US) 1976-05-04 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060167034-A1 Novel benzonaphthyridines PDE4A, PDE3A, PDE3B CA2 1934/4885ATM 2663/4885KDM4E 763/4885
US-20090030029-A1 Novel benzonaphthyridines PDE4A, PDE3A, PDE3B CA2 1934/4885ATM 2663/4885KDM4E 763/4885

“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.