SCHEMBL890459

SCHEMBL890459

COc1ccc2cc(CCCF)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
MAOA P21397 1/20 0.57
SLC6A2 P23975 1/20 0.57
RAB9A P51151 1/20 0.57
SLC6A3 Q01959 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PTGS2 P35354 1/20 0.57
PTGS1 P23219 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
IGF1R P08069 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2A6 P11509 1/20 0.47
SLC2A1 P11166 1/20 0.47

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
SCHEMBL11246667 0.84 CYP1A2 (0.58) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL9538995 0.82 CYP1A2 (0.61) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL7061128 0.82 PTGS2 (0.57) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL3716715 0.81 TAAR1 (0.68) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL14783441 0.81 HTR2A (0.56) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL16024600 0.81 HTR2A (0.56) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL19506648 0.81 HTR2A (0.56) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL15802596 0.81 CYP1A2 (0.59) CYP1A2KDM4ENPC1LMNATP53
SCHEMBL28131897 0.81 CYP1A2 (0.55) CYP1A2KDM4ENPC1LMNATP53
Hydrochloric Acid SCHEMBL11267009 0.80 TAAR1 (0.66) CYP1A2KDM4ENPC1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (3 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 CYP1A2 1183/4885KDM4E 3934/4885NPC1 128/4885
US-20150217005-A1 METHOD FOR OBTAINING NOVEL DERIVATIVES OF NAPHTHALENE FOR THE IN VIVO DIAGNOSIS OF ALZHEIMER'S DISEASE SLC43A1, SLCO2B1, FABP7 CYP1A2 1126/4885KDM4E 4008/4885NPC1 147/4885
US-10155053-B2 Method for obtaining novel derivatives of naphthalene for the in vivo diagnosis of Alzheimer's disease SLC43A1, SLCO2B1, FABP7 CYP1A2 1126/4885KDM4E 4008/4885NPC1 147/4885

“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.