SCHEMBL890402

SCHEMBL890402

O=C1CCC(=O)N1c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
HSD17B10 Q99714 2/20 0.54
HPGD P15428 2/20 0.54
PKM P14618 2/20 0.54
ELANE P08246 1/20 0.53
DDAH1 O94760 1/20 0.51
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RECQL P46063 2/20 0.49
HTT P42858 1/20 0.49
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CYP1A2 P05177 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
NCF1 P14598 1/20 0.46
TSHR P16473 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
SCHEMBL718741 0.92 POLB (0.58) POLBALDH1A1MAPTHSD17B10HPGD
SCHEMBL16395740 0.80 ELANE (0.54) POLBALDH1A1MAPTHSD17B10HPGD
SCHEMBL6341570 0.80 TLR9 (0.52) POLBMAPTHPGDKMT2ASMN1; SMN2
SCHEMBL9819361 0.80 POLB (0.49) POLBALDH1A1MAPTHSD17B10HPGD
SCHEMBL30285929 0.78 POLB (0.63) POLBALDH1A1MAPTHSD17B10HPGD
SCHEMBL18770820 0.78 POLB (0.63) POLBALDH1A1MAPTHSD17B10HPGD
SCHEMBL8990319 0.78 POLB (0.63) POLBALDH1A1MAPTHSD17B10HPGD
SCHEMBL28883335 0.78 POLB (0.64) POLBALDH1A1MAPTHSD17B10HPGD
SCHEMBL7846622 0.78 HPGD (0.59) POLBALDH1A1MAPTHSD17B10HPGD
SCHEMBL6032169 0.78 POLB (0.54) POLBALDH1A1MAPTHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2860169-A2 Method for obtaining novel derivatives of naphtalene for the in vivo diagnosis of Alzheimer's disease Centro De Neurociencias De Cuba (CU) 2015-04-15 EP claimed
US-20120321560-A1 Method for Obtaining Novel Derivatives of Naphthalene for the In Vivo Diagnosis of Alzheimer's Disease CENTRO DE NEUROCIENCIAS DE CUBA (CU) 2012-12-20 US claimed
EP-2436666-A2 METHOD FOR OBTAINING NOVEL DERIVATIVES OF NAPHTALENE FOR THE IN VIVO DIAGNOSIS OF ALZHEIMER 'S DISEASE Centro De Neurociencias De Cuba (CU) 2012-04-04 EP claimed
US-10155053-B2 Method for obtaining novel derivatives of naphthalene for the in vivo diagnosis of Alzheimer's disease CENTRO DE NEUROCIENCIAS DE CUBA (CU) 2018-12-18 US disclosed
EP-2860169-B1 Method for obtaining novel derivatives of naphtalene for the in vivo diagnosis of Alzheimer's disease CENTRO DE NEUROCIENCIAS DE CUBA (CU) 2018-08-29 EP disclosed
US-9764047-B2 Method for obtaining novel derivatives of naphthalene for the in vivo diagnosis of alzheimer's disease CENTRO DE NEUROCIENCIAS DE CUBA (CU) 2017-09-19 US disclosed
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US disclosed
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US disclosed
US-20150217005-A1 METHOD FOR OBTAINING NOVEL DERIVATIVES OF NAPHTHALENE FOR THE IN VIVO DIAGNOSIS OF ALZHEIMER'S DISEASE SABLON CARRAZANA MARQUIZA (CU) 2015-08-06 US disclosed
EP-2860169-A2 Method for obtaining novel derivatives of naphtalene for the in vivo diagnosis of Alzheimer's disease Centro De Neurociencias De Cuba (CU) 2015-04-15 EP disclosed
WO-2014065413-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF 日本たばこ産業株式会社 (JP) 2014-05-01 WO disclosed
US-20120321560-A1 Method for Obtaining Novel Derivatives of Naphthalene for the In Vivo Diagnosis of Alzheimer's Disease CENTRO DE NEUROCIENCIAS DE CUBA (CU) 2012-12-20 US disclosed
EP-2436666-A2 METHOD FOR OBTAINING NOVEL DERIVATIVES OF NAPHTALENE FOR THE IN VIVO DIAGNOSIS OF ALZHEIMER 'S DISEASE Centro De Neurociencias De Cuba (CU) 2012-04-04 EP disclosed
EP-2436666-A2 METHOD FOR OBTAINING NOVEL DERIVATIVES OF NAPHTALENE FOR THE IN VIVO DIAGNOSIS OF ALZHEIMER 'S DISEASE Centro De Neurociencias De Cuba (CU) 2012-04-04 EP 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-20120321560-A1 Method for Obtaining Novel Derivatives of Naphthalene for the In Vivo Diagnosis of Alzheimer's Disease SLC43A1, SLCO2B1, SLCO2A1 POLB 3508/4885ALDH1A1 1269/4885MAPT 60/4885
US-20150217005-A1 METHOD FOR OBTAINING NOVEL DERIVATIVES OF NAPHTHALENE FOR THE IN VIVO DIAGNOSIS OF ALZHEIMER'S DISEASE SLC43A1, SLCO2B1, FABP7 POLB 3472/4885ALDH1A1 1358/4885MAPT 54/4885
US-10155053-B2 Method for obtaining novel derivatives of naphthalene for the in vivo diagnosis of Alzheimer's disease SLC43A1, SLCO2B1, FABP7 POLB 3472/4885ALDH1A1 1358/4885MAPT 54/4885
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 POLB 3827/4885ALDH1A1 560/4885MAPT 1336/4885

“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.