SCHEMBL12844280

SCHEMBL12844280

CCCc1ccc(OC)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
ALOX5 P09917 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 2/20 0.47
KMT2A Q03164 2/20 0.47
DBH P09172 1/20 0.47
MEN1 O00255 1/20 0.47
GFER P55789 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
SCHEMBL13242140 0.89 MAPT (0.50) MAPTL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL8561443 0.86 PPARG (0.56) MAPT
SCHEMBL30413844 0.85 MAPT (0.53) MAPTL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL3792476 0.85 MAPT (0.53) MAPTL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL580639 0.84 MAPT (0.56) MAPTL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL855453 0.83 KDM4E (0.70) MAPTL3MBTL1SMN1; SMN2HTTKDM4E
SCHEMBL287146 0.83 MAPT (0.51) MAPTL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL28939602 0.83 MAPT (0.51) MAPTL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL14144881 0.83 MAPT (0.51) MAPTL3MBTL1SMN1; SMN2HTTALDH1A1
SCHEMBL427541 0.82 ATM (0.68) MAPTSMN1; SMN2ALDH1A1KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303788-A1 METHOD OF PRODUCING BIPHENOLIC COMPOUND, NOVEL BIPHENYL COMPOUND AND SYNTHESIS METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR TREATING PARKINSON'S DISEASE TZU CHI UNIVERSITY (TW) 2013-11-14 US claimed
WO-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 WO disclosed
US-20130303788-A1 METHOD OF PRODUCING BIPHENOLIC COMPOUND, NOVEL BIPHENYL COMPOUND AND SYNTHESIS METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR TREATING PARKINSON'S DISEASE TZU CHI UNIVERSITY (TW) 2013-11-14 US disclosed
US-8557800-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2013-10-15 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-7612238-B2 Such as (R)-2-amino-2-methyl-4-[4-(4,4,5,5,5-pentafluoro-pentyloxy)-phenyl]-butan-1-ol hydrochloride for treatment of disorders or diseases mediated by lymphocytes, and for treating acute or chronic transplant rejection or T-cell-mediated inflammatory or autoimmune diseases NOVARTIS AG (CH) 2009-11-03 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US disclosed
US-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US disclosed
US-7265114-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-09-04 US disclosed
US-7265114-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-09-04 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 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 (4 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-20130303788-A1 METHOD OF PRODUCING BIPHENOLIC COMPOUND, NOVEL BIPHENYL COMPOUND AND SYNTHESIS METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR TREATING PARKINSON'S DISEASE PARK7, DBH, SNCA MAPT 530/4885L3MBTL1 4803/4885SMN1; SMN2 613/4885
US-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS MAPT 3539/4885L3MBTL1 4810/4885SMN1; SMN2 4172/4885
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF PSEN1, PSEN2, BACE1 MAPT 82/4885L3MBTL1 684/4885SMN1; SMN2 168/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK MAPT 1563/4885L3MBTL1 4472/4885SMN1; SMN2 1371/4885

“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.