SCHEMBL6042829

SCHEMBL6042829

Cc1c(Br)ccc2cc(Br)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
ERN1 O75460 1/20 0.42
MAPT P10636 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCEH1 Q6PIU2 2/20 0.39
EPRS1 P07814 1/20 0.39
HSP90AA1 P07900 1/20 0.37
TLR9 Q9NR96 1/20 0.37
POLB P06746 1/20 0.36
PKM P14618 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL6042452 0.84 TYMS (0.41) CYP2A6MAPTKDM4EALDH1A1MEN1
SCHEMBL19798970 0.83 CYP2A6 (0.50) CYP2A6ERN1MAPTKDM4EALDH1A1
SCHEMBL13296158 0.81 CYP2A6 (0.41) CYP2A6ERN1MAPTKDM4EALDH1A1
SCHEMBL3771051 0.79 ESR1 (0.33) EPRS1SIRT2ESR2ESR1
SCHEMBL19862049 0.79 SLC6A2 (0.42) CYP2A6EPRS1BACE1ESR2ESR1
SCHEMBL5343236 0.79 ESR2 (0.58) CYP2A6ERN1MAPTKDM4EALDH1A1
SCHEMBL31444547 0.79 ESR2 (0.58) CYP2A6ERN1MAPTKDM4EALDH1A1
SCHEMBL56836 0.78 CYP2A6 (0.57) CYP2A6ERN1MAPTKDM4EALDH1A1
SCHEMBL20356031 0.77 CYP2A6 (0.46) CYP2A6ERN1MAPTKDM4EALDH1A1
SCHEMBL5752191 0.76 CYP2A6 (0.48) CYP2A6MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834559-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2023-12-05 US disclosed
CN-113527639-B Method for preparing spinnable asphalt with high softening point from naphthalene and product thereof 武汉科技大学 2022-08-02 CN disclosed
EP-4029904-A1 DESIGN OF COMPOSITE MATERIALS WITH DESIRED CHARACTERISTICS Nanocore ApS (DK) 2022-07-20 EP disclosed
CN-113527639-A Method for preparing spinnable asphalt with high softening point from naphthalene and product thereof 武汉科技大学 2021-10-22 CN disclosed
US-20210230381-A1 DESIGN OF COMPOSITE MATERIALS WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2021-07-29 US disclosed
US-11028240-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2021-06-08 US disclosed
US-10301443-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2019-05-28 US disclosed
US-20180298154-A1 DESIGN OF COMPOSITE MATERIALS WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2018-10-18 US disclosed
EP-3218427-A1 DESIGN OF COMPOSITE MATERIALS WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2017-09-20 EP disclosed
WO-2016078664-A1 DESIGN OF COMPOSITE MATERIALS WITH DESIRED CHARACTERISTICS LUNDORF PEDERSEN MATERIALS APS (DK) 2016-05-26 WO disclosed
CN-102442938-A Fluorenyl-fluorene compound and application thereof UNIV TSINGHUA 2012-05-09 CN disclosed
CN-1256326-C Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 2006-05-17 CN disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
CN-1606540-A Synthesis and use of dimethyl 1,5-naphthalenedicarboxylates and intermediates therefrom BP CORP NORTH AMERICA INC (US) 2005-04-13 CN disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
CN-1202152-A Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 1998-12-16 CN disclosed
US-4675355-A REACTIVE AMINE-CONTAINING NITROSO COMPOUND AND AN HALOGENATED ALKYLBENZENE TO IMPROVE GREEN STRENGTH; TIRES BRIDGESTONE CORPORATION (JP) 1987-06-23 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 (1 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 CYP2A6 3577/4885ERN1 3151/4885MAPT 43/4885

“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.