SCHEMBL91606

SCHEMBL91606

COC(CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.59
KMT2A Q03164 4/20 0.57
NPSR1 Q6W5P4 2/20 0.57
POLB P06746 2/20 0.57
HTT P42858 1/20 0.57
ATM Q13315 1/20 0.55
TSHR P16473 1/20 0.52
MEN1 O00255 3/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 2/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 3/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 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
SCHEMBL27534620 0.90 L3MBTL1 (0.57) L3MBTL1KMT2ANPSR1POLBHTT
SCHEMBL3290815 0.83 GABBR2 (0.48) KMT2AHTTTSHRMAPTHPGD
SCHEMBL2517935 0.83 GABBR2 (0.48) KMT2AHTTTSHRMAPTHPGD
SCHEMBL10071740 0.83 KMT2A (0.57) L3MBTL1KMT2ANPSR1POLBHTT
SCHEMBL7720266 0.82 TSHR (0.52) L3MBTL1KMT2ANPSR1POLBHTT
SCHEMBL1775169 0.81 KMT2A (0.46) L3MBTL1KMT2ANPSR1POLBHTT
SCHEMBL7054346 0.81 L3MBTL1 (0.51) L3MBTL1KMT2ANPSR1POLBHTT
SCHEMBL7054341 0.81 L3MBTL1 (0.51) L3MBTL1KMT2ANPSR1POLBHTT
SCHEMBL7624631 0.80 KCNA5 (0.50) L3MBTL1KMT2APOLBTSHRMEN1
SCHEMBL4780750 0.80 ALDH1A1 (0.51) L3MBTL1KMT2ANPSR1TSHRSMN1; SMN2

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
US-8128727-B2 Method for collecting metal SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-06 US disclosed
US-20080261477-A1 METHOD FOR COLLECTING METAL SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2008-10-23 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
EP-1326856-B1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY BAYER HEALTHCARE AG (DE) 2007-12-19 EP disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
US-20060205676-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-09-14 US disclosed
US-20060100246-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-05-11 US disclosed
US-6984649-B1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-01-10 US disclosed
CN-1476442-A Pyridine derivatives with IKB-kinase (IKK-beta) INhibiting activity 2004-02-18 CN disclosed
EP-1326856-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY Bayer Aktiengesellschaft (DE) 2003-07-16 EP disclosed
US-6562811-B1 Inhibit I kappa B kinase beta (IKK- beta or IKK-beta) activity, thus inhibit nuclear factor kappa B (NF- kappa B) and can be used for the prophylaxis and treatment of inflammation BAYER AKTIENGESELLSCHAFT (DE) 2003-05-13 US disclosed
WO-2002024679-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-β) INHIBITING ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 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 (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-20060205676-A1 Pyridine derivatives CBR3, ARG1, HRH3 L3MBTL1 2061/4885KMT2A 3107/4885NPSR1 371/4885
US-20060100246-A1 Pyridine derivatives NAPRT, NNT, NANS L3MBTL1 4657/4885KMT2A 1892/4885NPSR1 1195/4885

“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.