SCHEMBL890433

SCHEMBL890433

O=C(CCC(=O)ON1C(=O)CCC1=O)Nc1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.64
CYP1A2 P05177 2/20 0.64
ALDH1A1 P00352 4/20 0.52
POLB P06746 1/20 0.52
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
MAPT P10636 4/20 0.49
CYP2C9 P11712 1/20 0.48
CDYL2 Q8N8U2 1/20 0.46
CDYL Q9Y232 1/20 0.46
CDY1; CDY1B Q9Y6F8 1/20 0.46
TSHR P16473 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL4401959 0.82 ALDH1A1 (0.54) CYP2C19CYP1A2ALDH1A1POLBMAPT
SCHEMBL15145494 0.80 KMT2A (0.57) ALDH1A1POLBTSHRKDM4EHPGD
SCHEMBL1703110 0.79 CYP2C19 (1.00) CYP2C19CYP1A2ALDH1A1POLBMAPT
SCHEMBL21664524 0.77 CDYL (0.49) CYP1A2CDYLHDAC3HDAC4HDAC1
SCHEMBL28545230 0.75 TDP1 (0.53) CYP2C19CYP1A2ALDH1A1MAPTKDM4E
SCHEMBL890383 0.74 CYP1A2 (0.70) CYP2C19CYP1A2ALDH1A1POLBMAPT
Phenanthrene SCHEMBL7967270 0.73 PSMB8 (0.36) CYP2C19CYP1A2ALDH1A1MAPTCYP2C9
SCHEMBL21363354 0.73 ALDH1A1 (0.40) CYP2C19CYP1A2ALDH1A1CHRM2CHRM4
SCHEMBL15684124 0.73 CYP1A2 (0.68) CYP2C19CYP1A2ALDH1A1POLBMAPT
SCHEMBL30668502 0.73 CYP1A2 (0.68) CYP2C19CYP1A2ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20120321560-A1 Method for Obtaining Novel Derivatives of Naphthalene for the In Vivo Diagnosis of Alzheimer's Disease SLC43A1, SLCO2B1, SLCO2A1 CYP2C19 2874/4885CYP1A2 1183/4885ALDH1A1 1269/4885
US-20150217005-A1 METHOD FOR OBTAINING NOVEL DERIVATIVES OF NAPHTHALENE FOR THE IN VIVO DIAGNOSIS OF ALZHEIMER'S DISEASE SLC43A1, SLCO2B1, FABP7 CYP2C19 2927/4885CYP1A2 1126/4885ALDH1A1 1358/4885

“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.